BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 210593 CCCOC1CCCN(C1)C(=O)c1cc(Cl)c(Cl)cc1C(O)=O InChI=1S/C16H19Cl2NO4/c1-2-6-23-10-4-3-5-19(9-10)15(20)11-7-13(17)14(18)8-12(11)16(21)22/h7-8,10H,2-6,9H2,1H3,(H,21,22) JLZMZCOVVOTICF-UHFFFAOYSA-N 96551 4,5-bis(chloranyl)-2-(3-propoxypiperidin-1-yl)carbonyl-benzoic acid::cid_646282::4,5-Dichloro-2-(3-propoxy-piperidine-1-carbonyl)-benzoic acid::SMR000014385::MLS000067983::4,5-dichloro-2-[oxo-(3-propoxy-1-piperidinyl)methyl]benzoic acid::4,5-dichloro-2-(3-propoxypiperidine-1-carbonyl)benzoic acid Trace amine-associated receptor 1 Homo sapiens >29908 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96551 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96551&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 646282 164037795 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210594 Nc1nc(Nc2ccccc2)nc2ccccc12 InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18) OEBBWBXOACRBRL-UHFFFAOYSA-N 49173 N*2*-Phenyl-quinazoline-2,4-diamine::MLS000026767::2-N-phenylquinazoline-2,4-diamine;hydrochloride::cid_2952123::N2-phenylquinazoline-2,4-diamine;hydrochloride::SMR000014424::(4-aminoquinazolin-2-yl)-phenyl-amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 443.79 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49173 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49173&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 646697 252629454 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210595 O=c1nc(nc(Nc2ccccc2)[nH]1)N1CCCC1 InChI=1S/C13H15N5O/c19-13-16-11(14-10-6-2-1-3-7-10)15-12(17-13)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16,17,19) PCRSSMCKONDMHH-UHFFFAOYSA-N 96552 MLS000034572::2-anilino-6-(1-pyrrolidinyl)-1H-1,3,5-triazin-4-one::SMR000013243::2-phenylazanyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-4-one::2-anilino-6-pyrrolidin-1-yl-1H-1,3,5-triazin-4-one::4-Phenylamino-6-pyrrolidin-1-yl-[1,3,5]triazin-2-ol::cid_647153::2-anilino-6-pyrrolidino-1H-s-triazin-4-one Trace amine-associated receptor 1 Homo sapiens 782.71 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96552 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96552&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 647153 164037796 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210596 O=C(CCN1CCC(C1)c1ccccc1)c1cccs1 InChI=1S/C17H19NOS/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2 PNZHYJLPSXGIOW-UHFFFAOYSA-N 96553 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride::3-(3-Phenyl-pyrrolidin-1-yl)-1-thiophen-2-yl-propan-1-one::MLS000035953::SMR000011654::3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-yl-propan-1-one;hydrochloride::cid_2893244::3-(3-phenyl-1-pyrrolidinyl)-1-thiophen-2-yl-1-propanone;hydrochloride::3-(3-phenylpyrrolidino)-1-(2-thienyl)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1494 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96553 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96553&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 650795 164037797 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210597 Fc1ccccc1N1CCN(CC1)C(c1cccs1)c1nnnn1CCc1ccccc1 InChI=1S/C24H25FN6S/c25-20-9-4-5-10-21(20)29-14-16-30(17-15-29)23(22-11-6-18-32-22)24-26-27-28-31(24)13-12-19-7-2-1-3-8-19/h1-11,18,23H,12-17H2 WPHIDJCZIKTYNE-UHFFFAOYSA-N 96554 MLS000070847::1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride::1-(2-Fluoro-phenyl)-4-[(1-phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine::1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]-thiophen-2-yl-methyl]piperazine;hydrochloride::1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine;hydrochloride::SMR000005652::cid_6603087::1-(2-fluorophenyl)-4-[(1-phenethyltetrazol-5-yl)-(2-thienyl)methyl]piperazine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 6730 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96554 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96554&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 650913 164037798 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210598 Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1 InChI=1S/C19H22N2O/c1-15-6-8-18(9-7-15)20-19(22)11-13-21-12-10-16-4-2-3-5-17(16)14-21/h2-9H,10-14H2,1H3,(H,20,22) RTIXNDCLLAJULP-UHFFFAOYSA-N 96555 3-(3,4-Dihydro-1H-isoquinolin-2-yl)-N-p-tolyl-propionamide::MLS000071862::cid_6603158::SMR000011892::3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)propanamide;hydrochloride::3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(p-tolyl)propionamide;hydrochloride Trace amine-associated receptor 1 Homo sapiens 7460 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96555 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96555&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 651797 164037799 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210599 Nc1nc(Nc2cccc(F)c2)nc2ccccc12 InChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19) GMSVPBCCVMQLIL-UHFFFAOYSA-N 49184 MLS000034907::2-N-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride::N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride::SMR000014425::N*2*-(3-Fluoro-phenyl)-quinazoline-2,4-diamine::cid_2952346::(4-aminoquinazolin-2-yl)-(3-fluorophenyl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1647 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49184 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49184&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 653020 252629465 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210600 CN1C2NCN(CCc3ccccc3)CC2C(=O)N(C)C1=O InChI=1S/C16H22N4O2/c1-18-14-13(15(21)19(2)16(18)22)10-20(11-17-14)9-8-12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3 ZBNKICCIUZBYMP-UHFFFAOYSA-N 96556 SMR000013444::cid_654787::MLS000035376::1,3-Dimethyl-6-phenethyl-hexahydro-pyrimido[4,5-d]pyrimidine-2,4-dione::1,3-dimethyl-6-(2-phenylethyl)-5,7,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4-dione::1,3-dimethyl-6-phenethyl-5,7,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4-quinone Trace amine-associated receptor 1 Homo sapiens 10948 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96556 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96556&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 654787 164037800 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210601 COc1ccc(cc1)C(N1CCN(CC1)C1CCCC1)c1nnnn1CCc1ccccc1 InChI=1S/C26H34N6O/c1-33-24-13-11-22(12-14-24)25(31-19-17-30(18-20-31)23-9-5-6-10-23)26-27-28-29-32(26)16-15-21-7-3-2-4-8-21/h2-4,7-8,11-14,23,25H,5-6,9-10,15-20H2,1H3 GBEICOCUEFDHJG-UHFFFAOYSA-N 96557 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride::cid_6603101::1-Cyclopentyl-4-[(4-methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine::SMR000005099::1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine;hydrochloride::MLS000070898::1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]piperazine;hydrochloride::1-cyclopentyl-4-[(4-methoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]piperazine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 8173 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96557 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96557&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 655353 164037801 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210602 O=C(Nc1nncs1)Nc1ccccc1 InChI=1S/C9H8N4OS/c14-8(12-9-13-10-6-15-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14) GFFHLIHHQYTOFL-UHFFFAOYSA-N 96558 cid_100304::SMR000009598::MLS000029794::1-Phenyl-3-[1,3,4]thiadiazol-2-yl-urea::1-phenyl-3-(1,3,4-thiadiazol-2-yl)urea Trace amine-associated receptor 1 Homo sapiens 11277 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96558 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96558&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 100304 164037802 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210603 CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O InChI=1S/C17H25N3O2/c1-4-7-20-16(21)14(9-18)13(3)15(17(20)22)11-19-8-5-6-12(2)10-19/h12,22H,4-8,10-11H2,1-3H3 RXOABCXKDBQJCL-UHFFFAOYSA-N 52082 6-hydroxy-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile::6-Hydroxy-4-methyl-5-(3-methyl-piperidin-1-ylmethyl)-2-oxo-1-propyl-1,2-dihydro-pyridine-3-carbonitrile::4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-1-propyl-pyridine-3-carbonitrile::SMR000013328::cid_656096::6-hydroxy-4-methyl-5-[(3-methyl-1-piperidinyl)methyl]-2-oxo-1-propyl-3-pyridinecarbonitrile::MLS000068370::6-hydroxy-2-keto-4-methyl-5-[(3-methylpiperidino)methyl]-1-propyl-nicotinonitrile Trace amine-associated receptor 1 Homo sapiens 13034 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52082 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=52082&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 656096 252632236 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210604 C1CN=C(N1)C1CCCc2ccccc12 |c:2| InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15) BYJAVTDNIXVSPW-UHFFFAOYSA-N 96559 cid_10648::Tetrahydrozoline hydrochloride::2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride::SMR000058219::TETRAHYDROZOLINE::MLS000069739::Tyzine::2-tetralin-1-yl-2-imidazoline;hydrochloride Trace amine-associated receptor 1 Homo sapiens 157.06 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96559 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96559&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5419 164037803 DB06764 C07912 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210605 CCOC(=O)C(NC(C)=O)(N1CCc2ccccc2C1)C(F)(F)F InChI=1S/C16H19F3N2O3/c1-3-24-14(23)15(16(17,18)19,20-11(2)22)21-9-8-12-6-4-5-7-13(12)10-21/h4-7H,3,8-10H2,1-2H3,(H,20,22) XRUWKERGOBKZNP-UHFFFAOYSA-N 96560 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoic acid ethyl ester::ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-tris(fluoranyl)propanoate::ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate::SMR000039668::MLS000079279::cid_658739::2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-propionic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 2796 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96560 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96560&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 658739 164037804 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210606 O=C(CCN1CCCC1Cc1ccccc1)c1ccc2OCCOc2c1 InChI=1S/C22H25NO3/c24-20(18-8-9-21-22(16-18)26-14-13-25-21)10-12-23-11-4-7-19(23)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,4,7,10-15H2 RPHXTNLAEXOZHL-UHFFFAOYSA-N 96561 MLS000069259::cid_2893298::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(phenylmethyl)-1-pyrrolidinyl]-1-propanone;hydrochloride::SMR000040109::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride::3-(2-benzylpyrrolidin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one;hydrochloride::3-(2-benzylpyrrolidino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens >9971 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96561 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96561&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 659025 164037805 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210607 O=C(CCN1CCc2ccccc2CC1)c1ccc2OCCOc2c1 InChI=1S/C21H23NO3/c23-19(18-5-6-20-21(15-18)25-14-13-24-20)9-12-22-10-7-16-3-1-2-4-17(16)8-11-22/h1-6,15H,7-14H2 ZCDKQGFVOBMWRO-UHFFFAOYSA-N 36895 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1-propanone;hydrochloride::SMR000035624::MLS000069261::cid_2893616::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens 827.75 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36895 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36895&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 659144 252617868 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210608 c1cc(ccc1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N 29135 CHEMBL11608::cid_5610::tyramine::p-Tyramine Trace amine-associated receptor 1 Homo sapiens 881.84 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29135 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29135&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search AEF 5FF9,4N7C,8EEK,3BRA 5610 81054564 CHEMBL11608 DB08841 C00483 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210609 COc1ccc(Nc2cc(C)nc(n2)N2CCOCC2)cc1 InChI=1S/C16H20N4O2/c1-12-11-15(18-13-3-5-14(21-2)6-4-13)19-16(17-12)20-7-9-22-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,18,19) FKDDTMHIIWZJCM-UHFFFAOYSA-N 96562 MLS000079638::SMR000034460::N-(4-methoxyphenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine::N-(4-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine::cid_659574::N-(4-methoxyphenyl)-6-methyl-2-morpholin-4-yl-pyrimidin-4-amine::(4-methoxyphenyl)-(6-methyl-2-morpholino-pyrimidin-4-yl)amine Trace amine-associated receptor 1 Homo sapiens >29908 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96562 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96562&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 659574 164037806 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210610 CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1 InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3 YQLYKVRHTNDWJG-UHFFFAOYSA-N 31698 SMR000044848::MLS000080954::3-bromo-5-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-2-pyranone::3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-pyran-2-one::cid_664033::3-bromo-5-(3,3-dimethylpiperidine-1-carbonyl)pyran-2-one Trace amine-associated receptor 1 Homo sapiens 2413 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31698 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31698&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 664033 252615395 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210611 C(Cc1ccccc1)N1CNC(Nc2nc3ccccc3o2)=NC1 |c:24| InChI=1S/C18H19N5O/c1-2-6-14(7-3-1)10-11-23-12-19-17(20-13-23)22-18-21-15-8-4-5-9-16(15)24-18/h1-9H,10-13H2,(H2,19,20,21,22) DWOFIMUFCYMGPZ-UHFFFAOYSA-N 96563 MLS000080391::SMR000036909::N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine::cid_664281::1,3-benzoxazol-2-yl-(3-phenethyl-2,4-dihydro-1H-s-triazin-6-yl)amine Trace amine-associated receptor 1 Homo sapiens 14721 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96563 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96563&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 664281 164037807 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210612 C(CN1CCOCC1)CN1CN(CCc2ccccc2)Cn2c1nc1ccccc21 InChI=1S/C24H31N5O/c1-2-7-21(8-3-1)11-14-27-19-28(13-6-12-26-15-17-30-18-16-26)24-25-22-9-4-5-10-23(22)29(24)20-27/h1-5,7-10H,6,11-20H2 ZLSCVEJHXGTEDA-UHFFFAOYSA-N 96564 SMR000047377::cid_666160::MLS000084476::4-[3-[3-(2-phenylethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-1-yl]propyl]morpholine::4-[3-(3-phenethyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-1-yl)propyl]morpholine Trace amine-associated receptor 1 Homo sapiens 747.53 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96564 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96564&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 666160 164037808 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210613 Cn1cccc1CNCCc1ccccc1F InChI=1S/C14H17FN2/c1-17-10-4-6-13(17)11-16-9-8-12-5-2-3-7-14(12)15/h2-7,10,16H,8-9,11H2,1H3 DAHAYQVNPKBZCM-UHFFFAOYSA-N 41147 MLS000080638::2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine::2-(2-fluorophenyl)-N-[(1-methyl-2-pyrrolyl)methyl]ethanamine::cid_666453::SMR000036587::2-(2-fluorophenyl)ethyl-[(1-methylpyrrol-2-yl)methyl]amine Trace amine-associated receptor 1 Homo sapiens 8119 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41147 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41147&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 666453 252621922 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210614 O=C(CSc1nnc([nH]1)-c1ccccc1)NC(=O)NCc1ccco1 InChI=1S/C16H15N5O3S/c22-13(18-15(23)17-9-12-7-4-8-24-12)10-25-16-19-14(20-21-16)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20,21)(H2,17,18,22,23) VRXCVKFJHQNQHF-UHFFFAOYSA-N 44400 N-[(2-furanylmethylamino)-oxomethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide::N-(furan-2-ylmethylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide::MLS000098476::SMR000065231::cid_2669725::N-(furan-2-ylmethylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-(2-furfurylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Trace amine-associated receptor 1 Homo sapiens 12531 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44400 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44400&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2669725 252625018 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210615 O=C(NCN1CCc2ccccc2C1)c1cnccn1 InChI=1S/C15H16N4O/c20-15(14-9-16-6-7-17-14)18-11-19-8-5-12-3-1-2-4-13(12)10-19/h1-4,6-7,9H,5,8,10-11H2,(H,18,20) QHHNAVDWGLDQCL-UHFFFAOYSA-N 96565 cid_1277315::SMR000060646::N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide::MLS000097997::N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-pyrazinecarboxamide::N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazinamide Trace amine-associated receptor 1 Homo sapiens 8033 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96565 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96565&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1277315 164037809 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210616 CC(N=C1CCCN1)c1ccccc1 |w:2.1| InChI=1S/C12H16N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14) WXMWYKHNRNMBOA-UHFFFAOYSA-N 96566 N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride::MLS000055596::cid_6603563::SMR000060121::1-phenylethyl(1-pyrrolin-2-yl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens >29894 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96566 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96566&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2999954 164037810 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210617 COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1 InChI=1S/C19H20N4O/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22) KTUXKFMNVISAKF-UHFFFAOYSA-N 78541 cid_6602960::MLS000047848::N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride::N-(4-methoxyphenyl)-4-pyrrolidin-1-yl-quinazolin-2-amine;hydrochloride::N-(4-methoxyphenyl)-4-(1-pyrrolidinyl)-2-quinazolinamine;hydrochloride::SMR000033849::(4-methoxyphenyl)-(4-pyrrolidinoquinazolin-2-yl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 7191 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=78541 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=78541&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3236307 252655289 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210618 C1Oc2cc3nc(sc3cc2O1)N1CCc2ccccc2C1 InChI=1S/C17H14N2O2S/c1-2-4-12-9-19(6-5-11(12)3-1)17-18-13-7-14-15(21-10-20-14)8-16(13)22-17/h1-4,7-8H,5-6,9-10H2 SYSWBWBAHACCDD-UHFFFAOYSA-N 49232 cid_3236538::MLS000045507::SMR000027264::6-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]dioxolo[4,5-f][1,3]benzothiazole::6-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazole Trace amine-associated receptor 1 Homo sapiens 2963 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49232 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49232&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3236538 252629513 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210619 Brc1ccc(cc1)-n1c(=O)cc(Nc2ccc3OCOc3c2)[nH]c1=O InChI=1S/C17H12BrN3O4/c18-10-1-4-12(5-2-10)21-16(22)8-15(20-17(21)23)19-11-3-6-13-14(7-11)25-9-24-13/h1-8,19H,9H2,(H,20,23) VWIKUMHZTRGMSR-UHFFFAOYSA-N 96567 SMR000016645::cid_3238184::MLS000045897::6-(1,3-benzodioxol-5-ylamino)-3-(4-bromophenyl)-1H-pyrimidine-2,4-dione::6-(1,3-benzodioxol-5-ylamino)-3-(4-bromophenyl)uracil Trace amine-associated receptor 1 Homo sapiens 21893 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96567 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96567&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3238184 164037811 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210620 CC1CCCN(CCC(=O)c2ccc(Br)cc2)C1 InChI=1S/C15H20BrNO/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3 LTVWWXITZWRJJV-UHFFFAOYSA-N 34611 MLS000047942::cid_2978552::1-(4-bromophenyl)-3-(3-methyl-1-piperidinyl)-1-propanone;hydrochloride::1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride::SMR000033942::1-(4-bromophenyl)-3-(3-methylpiperidino)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens 20051 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34611 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34611&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2978553 252617262 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210621 OC(=O)C1CC=C(Cl)CC1C(=O)NCC1OCCc2ccccc12 |t:5| InChI=1S/C18H20ClNO4/c19-12-5-6-14(18(22)23)15(9-12)17(21)20-10-16-13-4-2-1-3-11(13)7-8-24-16/h1-5,14-16H,6-10H2,(H,20,21)(H,22,23) ZIPVWQKDALFCRB-UHFFFAOYSA-N 96568 4-chloranyl-6-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid::4-chloro-6-{[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]carbonyl}cyclohex-3-ene-1-carboxylic acid::4-chloro-6-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid::MLS000090222::cid_2921388::4-chloro-6-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid::SMR000024833::4-chloro-6-(isochroman-1-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 14637 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96568 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96568&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2921388 164037812 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210622 Cc1ccccc1-n1c(=O)cc([nH]c1=O)N1CCc2ccccc2C1 |(4.41,.74,;4.41,-.8,;3.08,-1.57,;3.08,-3.11,;4.41,-3.88,;5.75,-3.11,;5.75,-1.57,;7.08,-.8,;8.41,-1.57,;8.41,-3.11,;9.75,-.8,;9.75,.74,;8.41,1.51,;7.08,.74,;5.75,1.51,;11.08,1.51,;11.08,3.05,;12.42,3.82,;13.75,3.05,;15.13,3.88,;16.52,3.09,;16.52,1.48,;15.13,.69,;13.75,1.51,;12.42,.74,)| InChI=1S/C20H19N3O2/c1-14-6-2-5-9-17(14)23-19(24)12-18(21-20(23)25)22-11-10-15-7-3-4-8-16(15)13-22/h2-9,12H,10-11,13H2,1H3,(H,21,25) YZEDEQLNLYSSOY-UHFFFAOYSA-N 96569 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(2-methylphenyl)pyrimidine-2,4(1H,3H)-dione::MLS000045905::SMR000028281::cid_3243102::6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione::6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(o-tolyl)uracil Trace amine-associated receptor 1 Homo sapiens 7068 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96569 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96569&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3243102 164037813 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210623 O=C1NCCCC(C#N)C1=NCCc1ccccc1 |w:10.11| InChI=1S/C15H17N3O/c16-11-13-7-4-9-18-15(19)14(13)17-10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-10H2,(H,18,19) MTJNLFAYZIIFGM-UHFFFAOYSA-N 96570 SMR000024721::MLS000090103::2-oxo-3-[(2-phenylethyl)amino]-2,5,6,7-tetrahydro-1H-azepine-4-carbonitrile::7-oxo-6-(2-phenylethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile::cid_3243145::7-oxidanylidene-6-(2-phenylethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile::7-keto-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile Trace amine-associated receptor 1 Homo sapiens 3332 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96570 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96570&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899607 164037814 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210624 CC1OC(NCCc2ccccc2)C(O)C(O)C1O InChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3 WEASWRDFMRNHED-UHFFFAOYSA-N 96571 SMR000021176::MLS000085847::cid_3243430::2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol::6-deoxy-N-(2-phenylethyl)hexopyranosylamine::2-methyl-6-(phenethylamino)tetrahydropyran-3,4,5-triol Trace amine-associated receptor 1 Homo sapiens 160.51 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96571 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96571&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3243430 164037815 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210625 O=C(NCCc1ccccc1)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12 InChI=1S/C20H22N4O3S2/c25-20(21-12-11-15-6-2-1-3-7-15)16-8-5-13-24(14-16)29(26,27)18-10-4-9-17-19(18)23-28-22-17/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,21,25) WIMGKGMBXJVERQ-UHFFFAOYSA-N 96572 SMR000026797::1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide::MLS000045205::cid_3244329::1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide::N-phenethyl-1-piazthiol-4-ylsulfonyl-nipecotamide Trace amine-associated receptor 1 Homo sapiens 2197 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96572 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96572&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3244329 164037816 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210626 Cn1c2ccc(cc2n(C)c(=O)c1=O)S(=O)(=O)NCCc1ccccc1 InChI=1S/C18H19N3O4S/c1-20-15-9-8-14(12-16(15)21(2)18(23)17(20)22)26(24,25)19-11-10-13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3 MMHDGQCLZKYUTN-UHFFFAOYSA-N 96573 1,4-dimethyl-2,3-dioxo-N-(2-phenylethyl)quinoxaline-6-sulfonamide::SMR000027371::1,4-dimethyl-2,3-bis(oxidanylidene)-N-(2-phenylethyl)quinoxaline-6-sulfonamide::1,4-dimethyl-2,3-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide::1,4-dimethyl-2,3-dioxo-N-(2-phenylethyl)-6-quinoxalinesulfonamide::MLS000092294::cid_1505949::2,3-diketo-1,4-dimethyl-N-phenethyl-quinoxaline-6-sulfonamide Trace amine-associated receptor 1 Homo sapiens 8950 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96573 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96573&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1505949 164037817 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210627 Cn1c2nc(Nc3ccccc3)[nH]c2c(=O)n(C)c1=O InChI=1S/C13H13N5O2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,14,15,16) RXCJTNUAETXUOY-UHFFFAOYSA-N 96574 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione::MLS000064025::cid_378526::8-anilino-1,3-dimethyl-7H-purine-2,6-dione::1,3-dimethyl-8-phenylazanyl-7H-purine-2,6-dione::SMR000075796::8-anilino-1,3-dimethyl-7H-purine-2,6-quinone Trace amine-associated receptor 1 Homo sapiens 9394 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96574 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96574&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 378526 164037818 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210628 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NCCc1ccccc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6| 96575 cid_2933024::3-{[(2-phenylethyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid::SMR000072027::2-[oxo-(2-phenylethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid::MLS000089066::2-(2-phenylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid::2-(phenethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 5260 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96575 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96575&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2933024 164037819 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210629 [#6]\[#6](-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O InChI=1S/C20H8NO2/c1-13(21-11-10-14-6-2-3-7-15(14)12-21)18-19(22)16-8-4-5-9-17(16)20(18)23/h2-9H PMBUHPKROIOJJM-UHFFFAOYSA-N 96576 MLS000088921::2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethylidene]indene-1,3-dione::cid_748065::2-[1-(3,4-dihydro-2(1H)-isoquinolinyl)ethylidene]-1H-indene-1,3(2H)-dione::SMR000073155::2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethylidene]indane-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 658.93 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96576 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96576&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 748065 164037820 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210630 C(Cc1ccccc1)Nc1ncnc2nc[nH]c12 InChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18) GPGPFPKQCMKMDY-UHFFFAOYSA-N 96577 SMR000082216::N-(2-phenylethyl)-9H-purin-6-amine::N-(2-phenylethyl)-7H-purin-6-amine::MLS000100231::cid_756669::phenethyl(7H-purin-6-yl)amine Trace amine-associated receptor 1 Homo sapiens 8924 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96577 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96577&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 756669 164037821 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210631 CN1CCN(CC1)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 InChI=1S/C25H27N3O2/c1-27-14-16-28(17-15-27)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)30-19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29) MVANGJDUHJVWID-UHFFFAOYSA-N 49140 MLS000096867::cid_2946926::N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide::3-(benzyloxy)-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide::N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxy-benzamide::SMR000074585::N-[4-(4-methyl-1-piperazinyl)phenyl]-3-phenylmethoxybenzamide::3-benzoxy-N-[4-(4-methylpiperazino)phenyl]benzamide Trace amine-associated receptor 1 Homo sapiens 9061 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49140 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49140&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2946926 252629422 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210632 O=c1ccnc(NCCc2ccccc2)[nH]1 InChI=1S/C12H13N3O/c16-11-7-9-14-12(15-11)13-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H2,13,14,15,16) GYTTWOQVSQQXBS-UHFFFAOYSA-N 96578 MLS000066203::SMR000079817::2-[(2-phenylethyl)amino]-4(3H)-pyrimidinone::cid_728246::2-(2-phenylethylamino)-1H-pyrimidin-6-one::2-(phenethylamino)-1H-pyrimidin-6-one Trace amine-associated receptor 1 Homo sapiens 23690 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96578 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96578&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 728246 164037822 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210633 CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1 InChI=1S/C18H27N3O2/c1-14-16(21-18(23)20-14)10-6-3-7-11-17(22)19-13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,19,22)(H2,20,21,23) ZUWQXYDMMUZDNB-UHFFFAOYSA-N 42816 SMR000081349::6-(5-methyl-2-oxoimidazolidin-4-yl)-N-(2-phenylethyl)hexanamide::MLS000052067::6-(5-methyl-2-oxidanylidene-imidazolidin-4-yl)-N-(2-phenylethyl)hexanamide::6-(5-methyl-2-oxo-4-imidazolidinyl)-N-(2-phenylethyl)hexanamide::cid_2974150::6-(2-keto-5-methyl-imidazolidin-4-yl)-N-phenethyl-hexanamide Trace amine-associated receptor 1 Homo sapiens 6363 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=42816 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=42816&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2974150 252623506 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210634 OC(=O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1 InChI=1S/C16H20ClNO3/c17-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)16(20)21/h3-5,10,13-14H,1-2,6-9H2,(H,18,19)(H,20,21) LYYAGVSPDZKKHJ-UHFFFAOYSA-N 96579 MLS000063071::2-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid::2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid::2-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)cyclohexanecarboxylic acid::SMR000072012::cid_2932916::2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96579 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96579&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2932916 164037823 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210635 OC(=O)C1CCCCC1C(=O)NCCc1ccccc1 InChI=1S/C16H21NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20) ZVGKSRYCAMAYDG-UHFFFAOYSA-N 40389 2-[oxo-(2-phenylethylamino)methyl]-1-cyclohexanecarboxylic acid::SMR000069445::2-{[(2-phenylethyl)amino]carbonyl}cyclohexanecarboxylic acid::cid_2841922::MLS000058876::2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid::2-(phenethylcarbamoyl)cyclohexanecarboxylic acid Trace amine-associated receptor 1 Homo sapiens 8042 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40389 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40389&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2841922 252621214 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210636 O=C(Cn1cnc2c3ccccc3oc2c1=O)NCCc1ccccc1 InChI=1S/C20H17N3O3/c24-17(21-11-10-14-6-2-1-3-7-14)12-23-13-22-18-15-8-4-5-9-16(15)26-19(18)20(23)25/h1-9,13H,10-12H2,(H,21,24) YTPTULOUXJQEMK-UHFFFAOYSA-N 96580 SMR000016977::cid_3243125::2-(4-oxo-3-benzofuro[3,2-d]pyrimidinyl)-N-(2-phenylethyl)acetamide::2-(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)ethanamide::MLS000102835::2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide::2-(4-ketobenzofuro[3,2-d]pyrimidin-3-yl)-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 32634 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96580 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96580&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3243125 164037824 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210637 Oc1c(sc2ncnn12)C(N1CCc2ccccc2C1)c1ccc(F)cc1 InChI=1S/C20H17FN4OS/c21-16-7-5-14(6-8-16)17(18-19(26)25-20(27-18)22-12-23-25)24-10-9-13-3-1-2-4-15(13)11-24/h1-8,12,17,26H,9-11H2 BFRCUVAYFFBWKT-UHFFFAOYSA-N 96581 cid_5310397::5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol::SMR000017879::5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol::MLS000103636::5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol Trace amine-associated receptor 1 Homo sapiens 10317 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96581 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96581&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5310397 164037825 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210638 OC(=O)C1CC=CCC1C(=O)NCCc1ccccc1 |c:5| InChI=1S/C16H19NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-7,13-14H,8-11H2,(H,17,18)(H,19,20) GWFYOSXXZXFIFE-UHFFFAOYSA-N 96582 MLS000110592::6-[oxo-(2-phenylethylamino)methyl]-1-cyclohex-3-enecarboxylic acid::SMR000106521::cid_2900767::6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid::6-(phenethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 19896 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96582 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96582&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2900767 164037826 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210639 CC1=C(CCC1=O)NCCc1ccccc1 |t:1| InChI=1S/C14H17NO/c1-11-13(7-8-14(11)16)15-10-9-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3 IVBNBQKMZITYQC-UHFFFAOYSA-N 96583 2-methyl-3-(2-phenylethylamino)-1-cyclopent-2-enone::SMR000054244::2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one::cid_788462::MLS000104309::2-methyl-3-(phenethylamino)cyclopent-2-en-1-one Trace amine-associated receptor 1 Homo sapiens 5794 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96583 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96583&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 788462 164037827 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210640 Oc1ccc(C=NCC2COc3ccccc3O2)cc1 |w:6.6| InChI=1S/C16H15NO3/c18-13-7-5-12(6-8-13)9-17-10-14-11-19-15-3-1-2-4-16(15)20-14/h1-9,14,18H,10-11H2 NEHSUEIZIBYGAB-UHFFFAOYSA-N 96584 cid_5340822::SMR000111079::4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]-1-cyclohexa-2,5-dienone::MLS000106702::4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one::4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylene]cyclohexa-2,5-dien-1-one Trace amine-associated receptor 1 Homo sapiens 20527 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96584 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96584&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5340822 164037828 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210641 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-[#6]-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#6]1 InChI=1S/C17H4NO3/c1-17(2)9-15(20)14(16(21)10-17)11-18-8-7-12-3-5-13(19)6-4-12/h3-6H MBVWFBNIACSHBD-UHFFFAOYSA-N 96585 cid_2247137::2-[[2-(4-hydroxyphenyl)ethylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione::2-[[2-(4-hydroxyphenyl)ethylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione::MLS000107078::SMR000111450::2-[[2-(4-hydroxyphenyl)ethylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 8814 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96585 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96585&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2247137 164037829 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210642 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NCCC1=CCCCC1 |c:5,t:19,TLB:9:8:2:5.6,THB:12:7:2:5.6| 96586 cid_2862533::SMR000103933::MLS000107969::2-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid::2-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96586 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96586&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2862533 164037830 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210643 Cc1cc(C)n(n1)C(CC(=O)N1CCc2ccccc2C1)C(O)=O InChI=1S/C18H21N3O3/c1-12-9-13(2)21(19-12)16(18(23)24)10-17(22)20-8-7-14-5-3-4-6-15(14)11-20/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,23,24) HOBXHCOEJMOCTR-UHFFFAOYSA-N 93564 MLS000111898::4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoic acid::4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid::SMR000107817::cid_3773742::4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoic acid::4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid Trace amine-associated receptor 1 Homo sapiens 4315 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93564 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93564&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3773742 164034808 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210644 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NCCc1cccc(Cl)c1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6| 89784 MLS000113843::2-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid::SMR000109733::cid_2930827::2-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 12204 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=89784 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=89784&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2930827 252661360 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210645 Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O InChI=1S/C14H17N3O2/c1-16-12(10-13(18)17(2)14(16)19)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3 XUGVMBMQHABPQC-UHFFFAOYSA-N 45432 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione::cid_777231::MLS000108228::SMR000104189::1,3-dimethyl-6-(phenethylamino)pyrimidine-2,4-quinone Trace amine-associated receptor 1 Homo sapiens 13542 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45432 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45432&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 777231 252626031 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210646 [#6]-[#6]\[#6](-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1\[#6](=O)-[#6]-[#6]-[#6]-1=O InChI=1S/C16H5NO2/c1-2-13(16-14(18)8-9-15(16)19)17-11-10-12-6-4-3-5-7-12/h3-7H FMIZISGRBPGQHW-UHFFFAOYSA-N 96587 MLS000104319::2-[1-(2-phenylethylamino)propylidene]cyclopentane-1,3-dione::cid_788520::SMR000054254::2-[1-(phenethylamino)propylidene]cyclopentane-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 2344 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96587 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96587&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 788520 164037831 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210647 O=C(CCC(=O)OCC#C)NCCc1ccccc1 InChI=1S/C15H17NO3/c1-2-12-19-15(18)9-8-14(17)16-11-10-13-6-4-3-5-7-13/h1,3-7H,8-12H2,(H,16,17) YYJXDNUKTDWVSD-UHFFFAOYSA-N 96588 cid_2304667::MLS000104759::SMR000054692::4-oxo-4-(2-phenylethylamino)butanoic acid prop-2-ynyl ester::prop-2-ynyl 4-oxidanylidene-4-(2-phenylethylamino)butanoate::prop-2-ynyl 4-oxo-4-(2-phenylethylamino)butanoate::4-keto-4-(phenethylamino)butyric acid propargyl ester Trace amine-associated receptor 1 Homo sapiens 1664 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96588 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96588&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2304667 164037832 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210648 CC(NCCc1ccccc1)=C1C(=O)CSC1=O |w:1.0| InChI=1S/C14H15NO2S/c1-10(13-12(16)9-18-14(13)17)15-8-7-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3 PBEJEHUKCBMRFA-UHFFFAOYSA-N 62870 MLS000104317::SMR000054252::(3E)-3-[1-(2-phenylethylamino)ethylidene]thiolane-2,4-dione::cid_788510::(3E)-3-[1-(phenethylamino)ethylidene]tetrahydrothiophene-2,4-quinone Trace amine-associated receptor 1 Homo sapiens 9568 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=62870 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=62870&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 788510 252641989 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210649 C(C1=NCCN1)c1ccc2ccccc2c1 |t:1| InChI=1S/C14H14N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-6,9H,7-8,10H2,(H,15,16) VIXRKFBKWOHVBR-UHFFFAOYSA-N 50057120 cid_610682::CHEMBL441948::2-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole Trace amine-associated receptor 1 Homo sapiens 3650 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50057120 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50057120&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 610682 103953200 CHEMBL441948 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210650 CNCCc1ccccn1 InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3 UUQMNUMQCIQDMZ-UHFFFAOYSA-N 96589 CHEMBL24441::N-methyl-2-pyridin-2-yl-ethanamine;hydrochloride::BETAHISTINE DIHYDROCHLORIDE::cid_203875::N-methyl-2-(2-pyridinyl)ethanamine;hydrochloride::SMR000058622::N-methyl-2-pyridin-2-ylethanamine;hydrochloride::MLS000069505::methyl-[2-(2-pyridyl)ethyl]amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 6018 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96589 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96589&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2366 164037833 CHEMBL24441 DB06698 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210651 Cn1cccc1CNCCc1ccc(F)cc1 InChI=1S/C14H17FN2/c1-17-10-2-3-14(17)11-16-9-8-12-4-6-13(15)7-5-12/h2-7,10,16H,8-9,11H2,1H3 ROGKOAGYWALUMD-UHFFFAOYSA-N 96590 N-[2-(4-fluorophenyl)ethyl]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]amine::cid_9549153::2-(4-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine;hydrochloride::MLS000594551::SMR000115245::2-(4-fluorophenyl)-N-[(1-methyl-2-pyrrolyl)methyl]ethanamine;hydrochloride::2-(4-fluorophenyl)ethyl-[(1-methylpyrrol-2-yl)methyl]amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 20023 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96590 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96590&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1814908 164037834 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210652 CC1=C(C)CC(C(C1)C(O)=O)C(=O)NCCc1ccccc1 |c:1| InChI=1S/C18H23NO3/c1-12-10-15(16(18(21)22)11-13(12)2)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-11H2,1-2H3,(H,19,20)(H,21,22) JSSJOPLRIITHQE-UHFFFAOYSA-N 59778 MLS000523308::cid_2891105::3,4-dimethyl-6-[oxo-(2-phenylethylamino)methyl]-1-cyclohex-3-enecarboxylic acid::3,4-Dimethyl-6-phenethylcarbamoyl-cyclohex-3-enecarboxylic acid::3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid::SMR000123286::3,4-dimethyl-6-(phenethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 7203 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59778 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59778&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2891105 252639409 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210653 Nc1sc2CN(CCc3ccccc3)CCc2c1C#N InChI=1S/C16H17N3S/c17-10-14-13-7-9-19(11-15(13)20-16(14)18)8-6-12-4-2-1-3-5-12/h1-5H,6-9,11,18H2 NEZXGGXPFJZLFK-UHFFFAOYSA-N 96591 MLS000120857::2-Amino-6-phenethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile::2-azanyl-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile::2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile::cid_773666::SMR000118279::2-amino-6-phenethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Trace amine-associated receptor 1 Homo sapiens 9092 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96591 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96591&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 773666 164037835 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210654 O=C(NCCc1ccccc1)C(N(C1CC1)C(=O)c1csnn1)c1ccncc1 InChI=1S/C21H21N5O2S/c27-20(23-13-8-15-4-2-1-3-5-15)19(16-9-11-22-12-10-16)26(17-6-7-17)21(28)18-14-29-25-24-18/h1-5,9-12,14,17,19H,6-8,13H2,(H,23,27) PJZZMVULWQUVLE-UHFFFAOYSA-N 96592 N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-4-ylethyl]-4-thiadiazolecarboxamide::N-cyclopropyl-N-[2-oxidanylidene-2-(2-phenylethylamino)-1-pyridin-4-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide::MLS000121790::SMR000119212::N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide::[1,2,3]Thiadiazole-4-carboxylic acid cyclopropyl-(phenethylcarbamoyl-pyridin-4-yl-methyl)-amide::cid_3222354::N-cyclopropyl-N-[2-keto-2-(phenethylamino)-1-(4-pyridyl)ethyl]thiadiazole-4-carboxamide Trace amine-associated receptor 1 Homo sapiens 7586 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96592 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96592&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3222354 164037836 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210655 O=C(CC1Nc2ccccc2NC1=O)NCCc1ccccc1 InChI=1S/C18H19N3O2/c22-17(19-11-10-13-6-2-1-3-7-13)12-16-18(23)21-15-9-5-4-8-14(15)20-16/h1-9,16,20H,10-12H2,(H,19,22)(H,21,23) ALYVOKZTHSTUAG-UHFFFAOYSA-N 96593 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-phenylethyl)acetamide::2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-phenylethyl)ethanamide::MLS000122379::cid_3155914::2-(3-Oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-N-phenethyl-acetamide::SMR000119801::2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 7178 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96593 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96593&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3155914 164037837 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210656 O=C(CSc1nccc(=O)[nH]1)N1CCc2ccccc2C1 InChI=1S/C15H15N3O2S/c19-13-5-7-16-15(17-13)21-10-14(20)18-8-6-11-3-1-2-4-12(11)9-18/h1-5,7H,6,8-10H2,(H,16,17,19) SMXUDIJMNQCSNF-UHFFFAOYSA-N 44205 SMR000124078::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1H-pyrimidin-6-one::cid_1166770::MLS000123496::1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-1H-pyrimidin-6-one Trace amine-associated receptor 1 Homo sapiens 10348 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44205 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44205&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1166770 252624832 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210657 O=c1nc(nc(Nc2ccccc2)[nH]1)N1CCCCC1 InChI=1S/C14H17N5O/c20-14-17-12(15-11-7-3-1-4-8-11)16-13(18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,17,18,20) OUULHWZBIJLBMJ-UHFFFAOYSA-N 53729 SMR000124411::MLS000123830::2-anilino-6-piperidin-1-yl-1H-1,3,5-triazin-4-one::4-Phenylamino-6-piperidin-1-yl-1H-[1,3,5]triazin-2-one::2-anilino-6-(1-piperidinyl)-1H-1,3,5-triazin-4-one::cid_929912::2-phenylazanyl-6-piperidin-1-yl-1H-1,3,5-triazin-4-one::2-anilino-6-piperidino-1H-s-triazin-4-one Trace amine-associated receptor 1 Homo sapiens 4646 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=53729 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=53729&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 929912 252633767 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210658 NNc1nc(Nc2ccccc2)nc(n1)N1CCCCC1 InChI=1S/C14H19N7/c15-20-13-17-12(16-11-7-3-1-4-8-11)18-14(19-13)21-9-5-2-6-10-21/h1,3-4,7-8H,2,5-6,9-10,15H2,(H2,16,17,18,19,20) MNEUHRLPCBNVQP-UHFFFAOYSA-N 96594 SMR000116298::4-hydrazinyl-N-phenyl-6-(1-piperidinyl)-1,3,5-triazin-2-amine::(4-Hydrazono-6-piperidin-1-yl-4,5-dihydro-[1,3,5]triazin-2-yl)-phenyl-amine::4-hydrazinyl-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine::4-diazanyl-N-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine::MLS000525824::cid_818593::(4-hydrazino-6-piperidino-s-triazin-2-yl)-phenyl-amine Trace amine-associated receptor 1 Homo sapiens 8762 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96594 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96594&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 818593 164037838 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210659 O=C(CCN1CCC(C1)c1ccccc1)c1ccc2OCCOc2c1 InChI=1S/C21H23NO3/c23-19(17-6-7-20-21(14-17)25-13-12-24-20)9-11-22-10-8-18(15-22)16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2 GZIISXIDAZYOLI-UHFFFAOYSA-N 96595 SMR000116492::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-yl)propan-1-one;hydrochloride::cid_36302::1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(3-phenyl-pyrrolidin-1-yl)-propan-1-one::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenyl-1-pyrrolidinyl)-1-propanone;hydrochloride::MLS000526018::Pirroksan::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidino)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1459 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96595 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96595&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 36303 164037839 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210660 OCCNc1nc(Nc2ccccc2)nc2ccccc12 InChI=1S/C16H16N4O/c21-11-10-17-15-13-8-4-5-9-14(13)19-16(20-15)18-12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,17,18,19,20) XUAFYCZBBMZKBE-UHFFFAOYSA-N 96596 SMR000120918::MLS000528343::2-[(2-anilino-4-quinazolinyl)amino]ethanol;hydrochloride::2-[(2-phenylazanylquinazolin-4-yl)amino]ethanol;hydrochloride::cid_9549592::2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol::2-[(2-anilinoquinazolin-4-yl)amino]ethanol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 200.01 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96596 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96596&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1816791 164037840 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210661 CC1CC(C)CN(C1)c1cc(C)nc2cc(nn12)-c1cccc(C)c1 InChI=1S/C21H26N4/c1-14-6-5-7-18(9-14)19-11-20-22-17(4)10-21(25(20)23-19)24-12-15(2)8-16(3)13-24/h5-7,9-11,15-16H,8,12-13H2,1-4H3 OHVOXORFXIGMNU-UHFFFAOYSA-N 44858 cid_3229911::7-(3,5-dimethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine::7-(3,5-Dimethyl-piperidin-1-yl)-5-methyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidine::7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine::MLS000528535::SMR000121110::7-(3,5-dimethylpiperidino)-5-methyl-2-(m-tolyl)pyrazolo[1,5-a]pyrimidine Trace amine-associated receptor 1 Homo sapiens >29913 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44858 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44858&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3229911 252625463 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210662 O=C(Nc1cccc2ccccc12)N1CCc2ccccc2C1 InChI=1S/C20H18N2O/c23-20(22-13-12-15-6-1-2-8-17(15)14-22)21-19-11-5-9-16-7-3-4-10-18(16)19/h1-11H,12-14H2,(H,21,23) WUGGUAGEWUFWDV-UHFFFAOYSA-N 96098 SMR000121465::cid_2901712::N-(1-naphthalenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide::MLS000528990::N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide::3,4-Dihydro-1H-isoquinoline-2-carboxylic acid naphthalen-1-ylamide::N-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 9864 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96098&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2901712 164037342 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210663 Cc1cccc(c1)N=C1NCC(=O)N1CCc1ccccc1 |w:7.7| InChI=1S/C18H19N3O/c1-14-6-5-9-16(12-14)20-18-19-13-17(22)21(18)11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,19,20) XDOXNVNICLPTQR-UHFFFAOYSA-N 96597 SMR000121861::2-[(3-methylphenyl)amino]-1-(2-phenylethyl)-4H-imidazol-5-one::2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one::MLS000529386::cid_1454452::3-Phenethyl-2-m-tolylamino-3,5-dihydro-imidazol-4-one::2-(m-toluidino)-3-phenethyl-2-imidazolin-4-one Trace amine-associated receptor 1 Homo sapiens 7063 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96597 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96597&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1454452 164037841 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210664 FC(F)(F)c1cc(nc2nc(nn12)C(=O)NCCc1ccccc1)-c1cccs1 InChI=1S/C19H14F3N5OS/c20-19(21,22)15-11-13(14-7-4-10-29-14)24-18-25-16(26-27(15)18)17(28)23-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,23,28) ITAXYYNQZUTCNK-UHFFFAOYSA-N 96598 cid_1205600::N-(2-phenylethyl)-5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide::MLS000594426::SMR000114426::N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide::N-phenethyl-5-(2-thienyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 1910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96598 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96598&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1205600 164037842 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210665 CSc1nc(nn1S(=O)(=O)c1ccccc1)-c1ccc(Cl)cc1 InChI=1S/C15H12ClN3O2S2/c1-22-15-17-14(11-7-9-12(16)10-8-11)18-19(15)23(20,21)13-5-3-2-4-6-13/h2-10H,1H3 WUOGQGGQBXISOE-UHFFFAOYSA-N 96599 3-(4-chlorophenyl)-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-ylmethylsulfide::1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole::cid_1051125::1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazole::SMR000113286::MLS000548841::3-(4-chlorophenyl)-5-methylsulfanyl-1-(phenylsulfonyl)-1,2,4-triazole::1-besyl-3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazole Trace amine-associated receptor 1 Homo sapiens 23882 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96599 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96599&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1051125 164037843 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210666 CC1(C)CC(=O)C(C(=O)CC=NCCc2ccccc2)C(=O)C1 |w:11.11| InChI=1S/C19H23NO3/c1-19(2)12-16(22)18(17(23)13-19)15(21)9-11-20-10-8-14-6-4-3-5-7-14/h3-7,11,18H,8-10,12-13H2,1-2H3 WWXABDOMOAMHNP-UHFFFAOYSA-N 96600 5,5-dimethyl-2-[(E)-1-oxo-3-(2-phenylethylamino)prop-2-enyl]cyclohexane-1,3-dione::5,5-Dimethyl-2-((E)-3-phenethylamino-acryloyl)-cyclohexane-1,3-dione::cid_6063866::MLS000552590::5,5-dimethyl-2-[(E)-3-(2-phenylethylamino)prop-2-enoyl]cyclohexane-1,3-dione::SMR000146105::5,5-dimethyl-2-[(E)-3-(phenethylamino)acryloyl]cyclohexane-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 7797 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96600 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96600&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899608 164037844 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210667 Cc1[nH]c2ccccc2c1CN1CCc2ccccc2C1 InChI=1S/C19H20N2/c1-14-18(17-8-4-5-9-19(17)20-14)13-21-11-10-15-6-2-3-7-16(15)12-21/h2-9,20H,10-13H2,1H3 WMFJSKHHIFCGEM-UHFFFAOYSA-N 96601 SMR000140207::cid_764949::2-[(2-methyl-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline::MLS000532769::2-[(2-methyl-1H-indol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline Trace amine-associated receptor 1 Homo sapiens 574.03 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96601 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96601&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 764949 164037845 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210668 Cc1cc(C(=O)CSc2nc(C)cc(C)c2C#N)c(C)n1CCc1ccccc1 InChI=1S/C24H25N3OS/c1-16-12-17(2)26-24(22(16)14-25)29-15-23(28)21-13-18(3)27(19(21)4)11-10-20-8-6-5-7-9-20/h5-9,12-13H,10-11,15H2,1-4H3 UBQAOWYMFYCIIJ-UHFFFAOYSA-N 96602 MLS000535539::cid_2132437::2-({2-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-2-oxoethyl}thio)-4,6-dimethylnicotinonitrile::2-[[2-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile::SMR000142975::2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile::2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile::2-[[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Trace amine-associated receptor 1 Homo sapiens 4678 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96602 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96602&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2132437 164037846 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210669 [#6]\[#6](-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1\[#6](=O)-[#6]-[#6]-[#6]-1=O InChI=1S/C15H5NO2/c1-11(15-13(17)7-8-14(15)18)16-10-9-12-5-3-2-4-6-12/h2-6H YAHCSYWOKNWKMT-UHFFFAOYSA-N 96603 2-[1-(2-phenylethylamino)ethylidene]cyclopentane-1,3-dione::cid_788460::SMR000137201::2-{1-[(2-phenylethyl)amino]ethylidene}-1,3-cyclopentanedione::MLS000532262::2-[1-(phenethylamino)ethylidene]cyclopentane-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 8626 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96603 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96603&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 788460 164037847 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210670 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccccc1 |w:4.3| InChI=1S/C8H5N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-5H NXJMODYYSXLHRO-UHFFFAOYSA-N 96604 2-[(E)-benzylideneamino]guanidine::cid_9568045::2-[(E)-(phenylmethylene)amino]guanidine::2-benzylidenehydrazinecarboximidamide::SMR000140159::MLS000532721::2-[(E)-(phenylmethylidene)amino]guanidine::2-[(E)-benzalamino]guanidine Trace amine-associated receptor 1 Homo sapiens 1672 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96604 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96604&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9568045 164037848 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210671 CC(CNC(=O)C1CCCCC1C(O)=O)c1ccccc1 InChI=1S/C17H23NO3/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(20)21/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,19)(H,20,21) INZTYXSLGLFGIE-UHFFFAOYSA-N 96605 cid_2747924::2-[oxo-(2-phenylpropylamino)methyl]-1-cyclohexanecarboxylic acid::2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid::2-{[(2-phenylpropyl)amino]carbonyl}cyclohexanecarboxylic acid::SMR000136425::MLS000531447::2-(2-phenylpropylcarbamoyl)cyclohexanecarboxylic acid Trace amine-associated receptor 1 Homo sapiens 14367 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96605 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96605&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2747924 164037849 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210672 CC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 InChI=1S/C15H14N2O2/c1-11(18)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,19) MUCPYMKCPVNPAP-UHFFFAOYSA-N 96606 SMR000137059::1-(4-ethanoylphenyl)-3-phenyl-urea::cid_682184::N-(4-acetylphenyl)-N'-phenylurea::1-(4-acetylphenyl)-3-phenylurea::MLS000532118::1-(4-acetylphenyl)-3-phenyl-urea Trace amine-associated receptor 1 Homo sapiens >3324 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96606 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96606&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 682184 164037850 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210673 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NCC(CC)CCCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6| 96607 SMR000136317::MLS000531339::2-[(2-ethylhexylamino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid::3-{[(2-ethylhexyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid::cid_2932464::2-(2-ethylhexylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens >29916 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96607 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96607&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2932464 164037851 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210674 COc1ccc(\C=N\CC2COc3ccccc3O2)cc1OC InChI=1S/C18H19NO4/c1-20-15-8-7-13(9-18(15)21-2)10-19-11-14-12-22-16-5-3-4-6-17(16)23-14/h3-10,14H,11-12H2,1-2H3 HQGUOPYQTFSSMQ-UHFFFAOYSA-N 96608 SMR000140217::MLS000532779::(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(3,4-dimethoxybenzylidene)amine hydrochloride::cid_2850491::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine;hydrochloride::2,3-dihydro-1,4-benzodioxin-3-ylmethyl(veratrylidene)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 18948 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96608 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96608&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2850492 164037852 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210675 OC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 InChI=1S/C16H21NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20) ZVGKSRYCAMAYDG-UHFFFAOYSA-N 96609 MLS000521511::(1S,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid::cid_795953::SMR000131919::(1S,2R)-2-[oxo-(2-phenylethylamino)methyl]-1-cyclohexanecarboxylic acid::(1S,2R)-2-(phenethylcarbamoyl)cyclohexanecarboxylic acid Trace amine-associated receptor 1 Homo sapiens 7353 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96609 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96609&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 795953 164037853 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210676 Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1 InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24) CHYXIBROVMUMRJ-UHFFFAOYSA-N 96610 MLS000521189::SMR000131598::cid_3582921::5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-phenylethyl)furan-2-carboxamide::5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-phenylethyl)-2-furancarboxamide::5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-furamide Trace amine-associated receptor 1 Homo sapiens 5694 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96610 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96610&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3582921 164037854 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210677 Clc1c(cn[nH]c1=O)N=NCc1ccccc1 |w:8.8| InChI=1S/C11H9ClN4O/c12-10-9(7-14-16-11(10)17)15-13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17) BYLHDQCUECQQDQ-UHFFFAOYSA-N 96611 5-chloranyl-4-[(2E)-2-(phenylmethylidene)hydrazinyl]-1H-pyridazin-6-one::5-chloro-4-[(2E)-2-(phenylmethylene)hydrazinyl]-1H-pyridazin-6-one::cid_9569641::4-[(2E)-2-benzylidenehydrazinyl]-5-chloro-1H-pyridazin-6-one::SMR000131797::MLS000521389::4-[(N'E)-N'-benzalhydrazino]-5-chloro-1H-pyridazin-6-one Trace amine-associated receptor 1 Homo sapiens 981 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96611 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96611&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899609 164037855 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210678 Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CCc1ccccc1 InChI=1S/C23H23N5OS/c1-17-15-21(18(2)27(17)14-13-19-9-5-3-6-10-19)22(29)16-30-23-24-25-26-28(23)20-11-7-4-8-12-20/h3-12,15H,13-14,16H2,1-2H3 CZFUFROVIJSLHK-UHFFFAOYSA-N 96612 cid_1184246::MLS000535578::SMR000143014::1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone::1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone::1-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanone::1-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethanone::1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Trace amine-associated receptor 1 Homo sapiens 6282 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96612 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96612&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1184246 164037856 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210679 Cc1cc(=O)[nH]c(SCC(=O)NCCc2ccccc2)n1 InChI=1S/C15H17N3O2S/c1-11-9-13(19)18-15(17-11)21-10-14(20)16-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,18,19) VEYSSDYQEFIFDX-UHFFFAOYSA-N 96613 CHEMBL1722433::2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide::2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)ethanamide::2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide::2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2-phenylethyl)acetamide::SMR000136527::cid_892234::MLS000531589::2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 26056 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96613 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96613&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 892234 164037857 CHEMBL1722433 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210680 CN1C2=C(C(NC1=O)c1ccccc1)C(=O)N(CCc1ccccc1)C2 |c:2| InChI=1S/C21H21N3O2/c1-23-17-14-24(13-12-15-8-4-2-5-9-15)20(25)18(17)19(22-21(23)26)16-10-6-3-7-11-16/h2-11,19H,12-14H2,1H3,(H,22,26) XSQFNYWMOPXMRG-UHFFFAOYSA-N 89900 1-Methyl-6-phenethyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione::cid_3532137::MLS000556949::SMR000148066::1-methyl-4-phenyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione::1-methyl-6-phenethyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Trace amine-associated receptor 1 Homo sapiens 5743 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=89900 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=89900&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3532137 252661471 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210681 CCOC(=O)C(NC(=O)CC)(N1CCc2ccccc2C1)C(F)(F)F InChI=1S/C17H21F3N2O3/c1-3-14(23)21-16(17(18,19)20,15(24)25-4-2)22-10-9-12-7-5-6-8-13(12)11-22/h5-8H,3-4,9-11H2,1-2H3,(H,21,23) KQCGOPAOIXLBDC-UHFFFAOYSA-N 96614 ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-tris(fluoranyl)-2-(propanoylamino)propanoate::ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate::cid_3590464::2-(3,4-Dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-propionylamino-propionic acid ethyl ester::SMR000147010::MLS000554893::2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(1-oxopropylamino)propanoic acid ethyl ester::2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-propionamido-propionic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 1027 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96614 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96614&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3590464 164037858 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210682 C(C1=NCCN1)c1ccccc1 |t:1| InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12) JIVZKJJQOZQXQB-UHFFFAOYSA-N 55436 Tolazoline::SMR000149600::MLS000559484::cid_6048::2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride::2-Benzyl-4,5-dihydro-1H-imidazole::2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride::2-benzyl-2-imidazoline;hydrochloride Trace amine-associated receptor 1 Homo sapiens 4742 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=55436 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=55436&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5504 252635433 DB00797 C07147 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210683 CCC(NCCc1ccccc1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:12.27| InChI=1S/C21H27N3O3/c1-2-17(22-14-13-15-9-5-3-6-10-15)18-19(25)23-21(27)24(20(18)26)16-11-7-4-8-12-16/h3,5-6,9-10,16,22H,2,4,7-8,11-14H2,1H3,(H,23,25,27) PVEFISQFZKRVSF-UHFFFAOYSA-N 94451 MLS000557927::cid_6270418::(5E)-1-cyclohexyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione::1-Cyclohexyl-5-[1-phenethylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione::SMR000148643::(5E)-1-cyclohexyl-5-[1-(phenethylamino)propylidene]barbituric acid Trace amine-associated receptor 1 Homo sapiens 6229 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=94451 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=94451&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6270418 164035695 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210684 Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12 InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19) WXPPDLYBIBDKHZ-UHFFFAOYSA-N 44548 SMR000143487::cid_2953146::N2-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride::N~2~-(4-chlorophenyl)-2,4-quinazolinediamine hydrochloride::2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride::MLS000536850::(4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 9978 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44548 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44548&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 962704 252625159 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210685 OC(=O)C(CC(=O)Nc1ccc(O)cc1)NCCc1ccccc1 InChI=1S/C18H20N2O4/c21-15-8-6-14(7-9-15)20-17(22)12-16(18(23)24)19-11-10-13-4-2-1-3-5-13/h1-9,16,19,21H,10-12H2,(H,20,22)(H,23,24) AJCHUNHYHLURST-UHFFFAOYSA-N 96615 MLS000530914::SMR000135892::4-(4-hydroxyanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid::N~4~-(4-hydroxyphenyl)-N~2~-(2-phenylethyl)asparagine::4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-2-(2-phenylethylamino)butanoic acid::cid_2954398::4-(4-hydroxyanilino)-4-keto-2-(phenethylamino)butyric acid Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96615 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96615&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2954398 164037859 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210686 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2ccccc2C1 InChI=1S/C23H24N2O3/c1-15(2)13-20(25-21(26)18-9-5-6-10-19(18)22(25)27)23(28)24-12-11-16-7-3-4-8-17(16)14-24/h3-10,15,20H,11-14H2,1-2H3 PTQDFAXMKOMWQD-UHFFFAOYSA-N 89141 SMR000154793::cid_4963334::2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]isoindole-1,3-dione::2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione::MLS000568898::2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-butyl]isoindoline-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 5552 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=89141 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=89141&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4963334 252660744 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210687 COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 InChI=1S/C17H18N4O2/c1-23-13-6-4-5-12(11-13)19-17-20-15-8-3-2-7-14(15)16(21-17)18-9-10-22/h2-8,11,22H,9-10H2,1H3,(H2,18,19,20,21) HPFVQAYLQOSFOL-UHFFFAOYSA-N 96616 2-[2-(3-Methoxy-phenylamino)-quinazolin-4-ylamino]-ethanol::2-[[2-[(3-methoxyphenyl)amino]quinazolin-4-yl]amino]ethanol;hydrochloride::2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride::cid_11834445::2-[[2-(3-methoxyanilino)-4-quinazolinyl]amino]ethanol;hydrochloride::MLS000122702::SMR000120124::2-[[2-(m-anisidino)quinazolin-4-yl]amino]ethanol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 13969 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96616 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96616&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2142796 164037860 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210688 CCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCNCC1 InChI=1S/C15H19N7O/c1-2-23-11-7-9-10(8-16)15(22-5-3-19-4-6-22)21-14(18)12(9)13(17)20-11/h7,19H,2-6H2,1H3,(H2,17,20)(H2,18,21) YCUDOMCVZKVKEI-UHFFFAOYSA-N 34713 1,8-bis(azanyl)-6-ethoxy-3-piperazin-1-yl-2,7-naphthyridine-4-carbonitrile::1,8-diamino-6-ethoxy-3-piperazin-1-yl-2,7-naphthyridine-4-carbonitrile::MLS000535973::cid_5042475::SMR000155339::1,8-diamino-6-ethoxy-3-(1-piperazinyl)-2,7-naphthyridine-4-carbonitrile::1,8-diamino-6-ethoxy-3-piperazino-2,7-naphthyridine-4-carbonitrile Trace amine-associated receptor 1 Homo sapiens 8227 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34713 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34713&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5042475 252617362 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210689 CCCOc1ccc(OCCOCCN2CCc3ccccc3C2)cc1 InChI=1S/C22H29NO3/c1-2-14-25-21-7-9-22(10-8-21)26-17-16-24-15-13-23-12-11-19-5-3-4-6-20(19)18-23/h3-10H,2,11-18H2,1H3 ABEGEZWDEVDBPF-UHFFFAOYSA-N 96617 SMR000164019::2-{2-[2-(4-propoxyphenoxy)ethoxy]ethyl}-1,2,3,4-tetrahydroisoquinoline::cid_1825674::MLS000537577::2-[2-[2-(4-propoxyphenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline Trace amine-associated receptor 1 Homo sapiens >3324 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96617 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96617&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1825674 164037861 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210690 COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)nc1 InChI=1S/C22H22ClFN2O2/c1-27-21-12-16(13-25-11-10-18-4-2-3-5-19(18)24)6-8-20(21)28-15-17-7-9-22(23)26-14-17/h2-9,12,14,25H,10-11,13,15H2,1H3 DTYPZBRQTBSMGX-UHFFFAOYSA-N 96618 N-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride::SMR000161647::N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride::cid_11948806::N-{4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}-N-[2-(2-fluorophenyl)ethyl]amine::MLS000537230::N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride::[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]-[2-(2-fluorophenyl)ethyl]amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 9468 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96618 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96618&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4719684 164037862 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210691 COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1 InChI=1S/C18H21N3O4S2/c1-12(2)17(22)20-18(26)19-13-6-10-16(11-7-13)27(23,24)21-14-4-8-15(25-3)9-5-14/h4-12,21H,1-3H3,(H2,19,20,22,26) UQCKAVVYNFPENZ-UHFFFAOYSA-N 96619 SMR000162376::N-[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide::N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide::cid_1792532::N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-methyl-propanamide::MLS000539757::4-{[(isobutyrylamino)carbothioyl]amino}-N-(4-methoxyphenyl)benzenesulfonamide::N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]-2-methyl-propionamide Trace amine-associated receptor 1 Homo sapiens 6233 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96619 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96619&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1792532 164037863 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210692 Oc1ccccc1C=NNC(=O)Cc1n[nH]c(=O)[nH]c1=O |w:8.9| InChI=1S/C12H11N5O4/c18-9-4-2-1-3-7(9)6-13-16-10(19)5-8-11(20)14-12(21)17-15-8/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21) YZOUGHWZRRZIAN-UHFFFAOYSA-N 96620 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide::SMR000145039::2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide::MLS000550911::cid_11957167::2-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]-N'-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide::(3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-acetic acid [1-(2-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide::2-(3,5-diketo-2H-1,2,4-triazin-6-yl)-N'-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Trace amine-associated receptor 1 Homo sapiens 28836 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96620 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96620&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 11957167 164037864 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210693 O=C(Cc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1 |w:12.12| InChI=1S/C12H11N5O3/c18-10(6-9-11(19)14-12(20)17-15-9)16-13-7-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18)(H2,14,17,19,20) PEFHGNDECNCHLI-UHFFFAOYSA-N 96621 (3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-acetic acid [1-phenyl-meth-(E)-ylidene]-hydrazide::SMR000145037::2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(phenylmethylene)amino]acetamide::MLS000550909::N-[(E)-benzylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide::cid_6863844::2-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]-N-[(E)-(phenylmethylidene)amino]ethanamide::N-[(E)-benzalamino]-2-(3,5-diketo-2H-1,2,4-triazin-6-yl)acetamide Trace amine-associated receptor 1 Homo sapiens >29894 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96621 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96621&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6863844 164037865 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210694 Cc1cccc(CN=Nc2cn[nH]c(=O)c2Cl)c1 |w:8.8| InChI=1S/C12H11ClN4O/c1-8-3-2-4-9(5-8)6-14-16-10-7-15-17-12(18)11(10)13/h2-5,7H,6H2,1H3,(H,17,18) QFGNRORDABUBNT-UHFFFAOYSA-N 96622 SMR000131814::cid_5781448::5-chloro-4-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one::MLS000521406::5-chloranyl-4-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one::5-chloro-4-[(N'Z)-N'-(3-methylbenzylidene)hydrazino]-1H-pyridazin-6-one Trace amine-associated receptor 1 Homo sapiens 7331 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96622 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96622&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899610 164037866 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210695 Brc1ccc2nc(Nc3ccc(cc3)C(=O)NCC3CC3)[nH]c2c1 InChI=1S/C18H17BrN4O/c19-13-5-8-15-16(9-13)23-18(22-15)21-14-6-3-12(4-7-14)17(24)20-10-11-1-2-11/h3-9,11H,1-2,10H2,(H,20,24)(H2,21,22,23) DAKQEOWIWKAJMO-UHFFFAOYSA-N 96623 MLS000560641::cid_11958560::4-[(6-bromanyl-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide::SMR000155852::4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide Trace amine-associated receptor 1 Homo sapiens 2086 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96623 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96623&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 11958560 164037867 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210696 CC1CN(CC(C)O1)C(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl InChI=1S/C13H23Cl3N2O2/c1-8-6-18(7-9(2)20-8)10(13(14,15)16)17-11(19)12(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19) OBNRQIQGIHDAKK-UHFFFAOYSA-N 96624 cid_3114586::2,2-Dimethyl-N-[2,2,2-trichloro-1-(2,6-dimethyl-morpholin-4-yl)-ethyl]-propionamide::2,2-dimethyl-N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide::MLS000555235::2,2-dimethyl-N-[2,2,2-tris(chloranyl)-1-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide::2,2-dimethyl-N-[2,2,2-trichloro-1-(2,6-dimethyl-4-morpholinyl)ethyl]propanamide::SMR000175734::2,2-dimethyl-N-[2,2,2-trichloro-1-(2,6-dimethylmorpholino)ethyl]propionamide Trace amine-associated receptor 1 Homo sapiens 21642 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96624 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96624&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3114586 164037868 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210697 COc1ccc(cc1)C(=O)NNC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1C InChI=1S/C24H23N5O4S/c1-29-21(14-33-20-12-7-16-5-3-4-6-18(16)13-20)25-28-24(29)34-15-22(30)26-27-23(31)17-8-10-19(32-2)11-9-17/h3-13H,14-15H2,1-2H3,(H,26,30)(H,27,31) RWENIGNIQPVFGL-UHFFFAOYSA-N 96625 cid_1151719::4-Methoxy-benzoic acid N'-{2-[4-methyl-5-(naphthalen-2-yloxymethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide::4-methoxy-N'-[2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzohydrazide::SMR000172530::4-methoxy-N'-[2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide::MLS000551121::4-methoxy-N'-[2-[[4-methyl-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzohydrazide::4-methoxy-N'-[2-[[4-methyl-5-(2-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetyl]benzohydrazide Trace amine-associated receptor 1 Homo sapiens >29907 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96625 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96625&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1151719 164037869 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210698 CC1CCCN(C1)c1c([N+]([O-])=O)c(=O)oc2ccccc12 InChI=1S/C15H16N2O4/c1-10-5-4-8-16(9-10)13-11-6-2-3-7-12(11)21-15(18)14(13)17(19)20/h2-3,6-7,10H,4-5,8-9H2,1H3 KVHMPRDQCUDRKR-UHFFFAOYSA-N 96626 MLS000571334::4-(3-methylpiperidin-1-yl)-3-nitrochromen-2-one::4-(3-methyl-1-piperidinyl)-3-nitro-1-benzopyran-2-one::4-(3-methyl-1-piperidinyl)-3-nitro-2H-chromen-2-one::cid_2873240::SMR000193419::4-(3-methylpiperidin-1-yl)-3-nitro-chromen-2-one::4-(3-methylpiperidino)-3-nitro-coumarin Trace amine-associated receptor 1 Homo sapiens 13102 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96626 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96626&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2873240 164037870 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210699 COc1ccccc1CCNCc1cc2OCOc2cc1[N+]([O-])=O InChI=1S/C17H18N2O5/c1-22-15-5-3-2-4-12(15)6-7-18-10-13-8-16-17(24-11-23-16)9-14(13)19(20)21/h2-5,8-9,18H,6-7,10-11H2,1H3 HHTRHBOPSBJOLL-UHFFFAOYSA-N 96627 SMR000175906::cid_1723513::MLS000562262::[2-(2-Methoxy-phenyl)-ethyl]-(6-nitro-benzo[1,3]dioxol-5-ylmethyl)-amine::2-(2-methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine::2-(2-methoxyphenyl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Trace amine-associated receptor 1 Homo sapiens 19629 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96627 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96627&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1723513 164037871 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210700 [O-][N+](=O)c1ccc(cc1)C(=O)NCCc1ccccc1 InChI=1S/C15H14N2O3/c18-15(13-6-8-14(9-7-13)17(19)20)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,18) NPTZNBFQWMQHKP-UHFFFAOYSA-N 96628 4-nitro-N-(2-phenylethyl)benzamide::cid_230117::SMR000184667::MLS000573815::4-nitro-N-phenethyl-benzamide Trace amine-associated receptor 1 Homo sapiens 7323 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96628 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96628&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 230117 164037872 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210701 Clc1ccc(cc1)-c1nc2ccncc2[nH]1 InChI=1S/C12H8ClN3/c13-9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16) RBDQHKDYQDAOJG-UHFFFAOYSA-N 96629 MLS000550832::cid_153617::SMR000174680::2-(4-Chloro-phenyl)-1H-imidazo[4,5-c]pyridine::2-(4-chlorophenyl)-3H-imidazo[4,5-c]pyridine Trace amine-associated receptor 1 Homo sapiens >29925 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96629 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96629&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 153617 164037873 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210702 COc1cc(N=NCc2ccccc2O)ncn1 |w:6.6| InChI=1S/C12H12N4O2/c1-18-12-6-11(13-8-14-12)16-15-7-9-4-2-3-5-10(9)17/h2-6,8,17H,7H2,1H3 JNHRSJQCBZYMHA-UHFFFAOYSA-N 96630 MLS000548821::2-[(6-Methoxy-pyrimidin-4-yl)-hydrazonomethyl]-phenol::cid_5338837::(6E)-6-[[2-(6-methoxypyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::SMR000171308::(6E)-6-[[(6-methoxy-4-pyrimidinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone::(6E)-6-[[N'-(6-methoxypyrimidin-4-yl)hydrazino]methylene]cyclohexa-2,4-dien-1-one Trace amine-associated receptor 1 Homo sapiens 6631 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96630 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96630&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899611 164037874 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210703 CCOC(=O)C(NCCc1ccccc1)(NC(C)=O)C(F)(F)F InChI=1S/C15H19F3N2O3/c1-3-23-13(22)14(15(16,17)18,20-11(2)21)19-10-9-12-7-5-4-6-8-12/h4-8,19H,3,9-10H2,1-2H3,(H,20,21) YNFNHMQHWOZSAK-UHFFFAOYSA-N 96631 2-acetamido-3,3,3-trifluoro-2-(2-phenylethylamino)propanoic acid ethyl ester::2-Acetylamino-3,3,3-trifluoro-2-phenethylamino-propionic acid ethyl ester::ethyl 2-acetamido-3,3,3-trifluoro-2-(2-phenylethylamino)propanoate::MLS000590315::ethyl 2-acetamido-3,3,3-tris(fluoranyl)-2-(2-phenylethylamino)propanoate::cid_2817882::SMR000217273::2-acetamido-3,3,3-trifluoro-2-(phenethylamino)propionic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 23715 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96631 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96631&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2817882 164037875 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210704 CCOC(=O)C(NCCc1ccccc1)(NC(=O)CC)C(F)(F)F InChI=1S/C16H21F3N2O3/c1-3-13(22)21-15(16(17,18)19,14(23)24-4-2)20-11-10-12-8-6-5-7-9-12/h5-9,20H,3-4,10-11H2,1-2H3,(H,21,22) XRTBOANADSEVSG-UHFFFAOYSA-N 96632 SMR000217306::ethyl 3,3,3-trifluoro-2-(2-phenylethylamino)-2-(propanoylamino)propanoate::3,3,3-Trifluoro-2-phenethylamino-2-propionylamino-propionic acid ethyl ester::cid_4304978::ethyl 3,3,3-tris(fluoranyl)-2-(2-phenylethylamino)-2-(propanoylamino)propanoate::3,3,3-trifluoro-2-(1-oxopropylamino)-2-(2-phenylethylamino)propanoic acid ethyl ester::MLS000590313::3,3,3-trifluoro-2-(phenethylamino)-2-propionamido-propionic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 8434 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96632 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96632&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4304978 164037876 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210705 CCOC(=O)C(NCCc1ccccc1F)(NC(=O)CC)C(F)(F)F InChI=1S/C16H20F4N2O3/c1-3-13(23)22-15(16(18,19)20,14(24)25-4-2)21-10-9-11-7-5-6-8-12(11)17/h5-8,21H,3-4,9-10H2,1-2H3,(H,22,23) YCWVINZVODUOPD-UHFFFAOYSA-N 96633 ethyl 3,3,3-tris(fluoranyl)-2-[2-(2-fluorophenyl)ethylamino]-2-(propanoylamino)propanoate::ethyl 3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]-2-(propanoylamino)propanoate::3,3,3-Trifluoro-2-[2-(2-fluoro-phenyl)-ethylamino]-2-propionylamino-propionic acid ethyl ester::SMR000217281::MLS000590310::cid_3663845::3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]-2-(1-oxopropylamino)propanoic acid ethyl ester::3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]-2-propionamido-propionic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 19510 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96633 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96633&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3663845 164037877 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210706 CCOC(=O)C(NCCc1ccccc1F)(NC(C)=O)C(F)(F)F InChI=1S/C15H18F4N2O3/c1-3-24-13(23)14(15(17,18)19,21-10(2)22)20-9-8-11-6-4-5-7-12(11)16/h4-7,20H,3,8-9H2,1-2H3,(H,21,22) GOMVVNFFLAEYBO-UHFFFAOYSA-N 96634 ethyl 2-acetamido-3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]propanoate::cid_3697926::2-Acetylamino-3,3,3-trifluoro-2-[2-(2-fluoro-phenyl)-ethylamino]-propionic acid ethyl ester::MLS000590314::2-acetamido-3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]propanoic acid ethyl ester::SMR000217296::ethyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[2-(2-fluorophenyl)ethylamino]propanoate::2-acetamido-3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]propionic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96634 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96634&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3697926 164037878 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210707 CCN1CN(CCc2ccccc2)CNC1=S InChI=1S/C13H19N3S/c1-2-16-11-15(10-14-13(16)17)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,14,17) VQYGELHMXOZDMK-UHFFFAOYSA-N 96635 MLS000589728::1-ethyl-5-(2-phenylethyl)-1,3,5-triazinane-2-thione::SMR000219577::1-Ethyl-5-phenethyl-[1,3,5]triazinane-2-thione::cid_751700::1-ethyl-5-phenethyl-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 10391 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96635 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96635&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 751700 164037879 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210708 CCOC(=O)c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26) BIHPEXBRJDRAAX-UHFFFAOYSA-N 96636 ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate::MLS000589773::4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-benzoic acid ethyl ester::cid_980466::SMR000219558::4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester::4-(5-phenethyl-2-thioxo-1,3,5-triazinan-1-yl)benzoic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 775.5 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96636 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96636&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 980466 164037880 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210709 COc1cc(OC)cc(\C=N\CC2OCCc3ccccc23)c1 InChI=1S/C19H21NO3/c1-21-16-9-14(10-17(11-16)22-2)12-20-13-19-18-6-4-3-5-15(18)7-8-23-19/h3-6,9-12,19H,7-8,13H2,1-2H3 IPTZVBJMDLXKST-UHFFFAOYSA-N 96637 cid_3119442::SMR000176101::N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-(3,5-dimethoxyphenyl)methanimine::MLS000569452::N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(3,5-dimethoxyphenyl)methanimine::(3,5-Dimethoxy-benzylidene)-isochroman-1-ylmethyl-amine::(3,5-dimethoxybenzylidene)-(isochroman-1-ylmethyl)amine Trace amine-associated receptor 1 Homo sapiens 618.36 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96637 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96637&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3119442 164037881 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210710 O=C(Cn1cnc2ccccc12)N\N=C\c1cccs1 InChI=1S/C14H12N4OS/c19-14(17-16-8-11-4-3-7-20-11)9-18-10-15-12-5-1-2-6-13(12)18/h1-8,10H,9H2,(H,17,19) GZCOWJQRMYQVQO-UHFFFAOYSA-N 96638 2-(benzimidazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide::2-(benzimidazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide::cid_9562792::2-(1-benzimidazolyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide::Benzoimidazol-1-yl-acetic acid thiophen-2-ylmethylene-hydrazide::SMR000176322::MLS000562310::2-(benzimidazol-1-yl)-N-[(E)-2-thenylideneamino]acetamide Trace amine-associated receptor 1 Homo sapiens 11413 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96638 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96638&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9562792 164037882 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210711 Clc1ccccc1C(=O)NCC(=O)N\N=C\C=C\c1ccccc1 InChI=1S/C18H16ClN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23) YCXQVATTXNQJHQ-UHFFFAOYSA-N 96639 SMR000203448::cid_9621982::MLS000584285::2-chloranyl-N-[2-oxidanylidene-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide::2-chloro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide::2-chloro-N-(2-oxo-2-{(2E)-2-[(2E)-3-phenylprop-2-enylidene]hydrazino}ethyl)benzamide::2-chloro-N-[2-keto-2-[(N'E)-N'-[(E)-3-phenylprop-2-enylidene]hydrazino]ethyl]benzamide Trace amine-associated receptor 1 Homo sapiens 21325 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96639 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96639&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9621982 164037883 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210712 CCCN1CN(CCc2ccccc2)CNC1=S InChI=1S/C14H21N3S/c1-2-9-17-12-16(11-15-14(17)18)10-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18) ARGCIHHMIAHJBU-UHFFFAOYSA-N 96640 cid_3621166::5-(2-phenylethyl)-1-propyl-1,3,5-triazinane-2-thione::SMR000204166::MLS000585403::5-phenethyl-1-propyl-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 17705 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96640 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96640&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3621166 164037884 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210713 COc1ccc(\C=N\CC2OCCc3ccccc23)cc1OC InChI=1S/C19H21NO3/c1-21-17-8-7-14(11-18(17)22-2)12-20-13-19-16-6-4-3-5-15(16)9-10-23-19/h3-8,11-12,19H,9-10,13H2,1-2H3 NQFDLBLJCDHSGR-UHFFFAOYSA-N 96641 SMR000203912::MLS000585149::N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine::N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine::N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-[(1E)-(3,4-dimethoxyphenyl)methylene]amine::cid_4458727::isochroman-1-ylmethyl(veratrylidene)amine Trace amine-associated receptor 1 Homo sapiens 511.54 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96641 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96641&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4458727 164037885 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210714 [#6]-[#6]-[#8]-c1ccc(-[#6]\[#6](-[#7]-[#6]-[#6]-c2ccccc2)=[#6]-2/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)cc1-[#8]-[#6]-[#6] InChI=1S/C28H8NO4/c1-5-32-25-13-12-21(17-26(25)33-6-2)16-22(29-15-14-20-10-8-7-9-11-20)27-23(30)18-28(3,4)19-24(27)31/h7-13,17H GCJFLXSYSOAYFF-UHFFFAOYSA-N 96642 2-[2-(3,4-diethoxyphenyl)-1-(2-phenylethylamino)ethylidene]-5,5-dimethylcyclohexane-1,3-dione::MLS000586190::2-{2-(3,4-diethoxyphenyl)-1-[(2-phenylethyl)amino]ethylidene}-5,5-dimethylcyclohexane-1,3-dione::SMR000204553::2-[2-(3,4-diethoxyphenyl)-1-(2-phenylethylamino)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione::cid_5031940::2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 2838 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96642 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96642&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5031940 164037886 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210715 CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCc4ccccc4C3)c(C)c2c1 InChI=1S/C26H30N2O4S/c1-17-12-18(2)15-28(14-17)33(30,31)22-8-9-24-23(13-22)19(3)25(32-24)26(29)27-11-10-20-6-4-5-7-21(20)16-27/h4-9,13,17-18H,10-12,14-16H2,1-3H3 NROOQYHYZXQROZ-UHFFFAOYSA-N 96643 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-methyl-2-benzofuranyl]methanone::cid_3628641::SMR000207763::3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]methanone::2-({5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-yl}carbonyl)-1,2,3,4-tetrahydroisoquinoline::MLS000585983::3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylpiperidino)sulfonyl-3-methyl-benzofuran-2-yl]methanone Trace amine-associated receptor 1 Homo sapiens 10329 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96643 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96643&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3628641 164037887 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210716 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1 |w:17.18| InChI=1S/C19H16FN3O3/c1-2-23-11-14(19(25)26)18(24)13-8-15(20)16(9-17(13)23)22-21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,25,26) LNUNFTNNBOZCNL-UHFFFAOYSA-N 47589 1-Ethyl-6-fluoro-4-oxo-7-{N'-[1-phenyl-meth-(E)-ylidene]-hydrazino}-1,4-dihydro-quinoline-3-carboxylic acid::SMR000212831::MLS000589332::1-ethyl-6-fluoranyl-4-oxidanylidene-7-[2-(phenylmethylidene)hydrazinyl]quinoline-3-carboxylic acid::7-[(N''E)-N''-benzalhydrazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid::7-(2-benzylidenehydrazinyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid::7-[(N'E)-N'-benzalhydrazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid::cid_3726683::1-ethyl-6-fluoro-4-oxo-7-[2-(phenylmethylene)hydrazinyl]-3-quinolinecarboxylic acid::7-(N'-benzalhydrazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 1680 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47589 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47589&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91896724 252627897 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210717 O=C(Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2ccccc12)N1CCCCC1 InChI=1S/C26H27N3O3/c30-24(27-13-6-1-7-14-27)18-29-17-22(21-10-4-5-11-23(21)29)25(31)26(32)28-15-12-19-8-2-3-9-20(19)16-28/h2-5,8-11,17H,1,6-7,12-16,18H2 ASUMKZBPKUYBOH-UHFFFAOYSA-N 96645 MLS000696725::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione::SMR000237131::cid_12006196::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]ethane-1,2-dione::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-[2-oxo-2-(1-piperidinyl)ethyl]-3-indolyl]ethane-1,2-dione::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-keto-2-piperidino-ethyl)indol-3-yl]ethane-1,2-dione Trace amine-associated receptor 1 Homo sapiens 3568 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96645 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96645&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 12006196 164037889 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210718 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)NCCC1=CCCCC1 |t:19,TLB:12:7:6:3.2,THB:9:8:6:3.2| 96646 MLS000705195::cid_4132674::2-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid::3-({[2-(1-cyclohexen-1-yl)ethyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid::SMR000231298::2-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-3-bicyclo[2.2.1]heptanecarboxylic acid::3-[2-(cyclohexen-1-yl)ethylcarbamoyl]norbornane-2-carboxylic acid Trace amine-associated receptor 1 Homo sapiens >29890 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96646 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96646&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4132674 164037890 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210719 [H]C12[#6]-[#6]C([H])([#6](-[#6]1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1)\[#6]2=[#6](\[#6])-[#6] |TLB:11:6:22:3.2,THB:8:7:22:3.2| 96647 SMR000231206::MLS000699051::2-[oxo-(2-phenylethylamino)methyl]-7-propan-2-ylidene-3-bicyclo[2.2.1]heptanecarboxylic acid::cid_2887253::2-(2-phenylethylcarbamoyl)-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid::2-(2-phenylethylcarbamoyl)-7-propan-2-ylidene-bicyclo[2.2.1]heptane-3-carboxylic acid::7-(1-methylethylidene)-3-{[(2-phenylethyl)amino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid::7-isopropylidene-3-(phenethylcarbamoyl)norbornane-2-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 2420 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96647 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96647&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2887253 164037891 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210720 OC(COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1 InChI=1S/C25H25Cl2NO2/c26-22-9-5-19(6-10-22)25(20-7-11-23(27)12-8-20)30-17-24(29)16-28-14-13-18-3-1-2-4-21(18)15-28/h1-12,24-25,29H,13-17H2 XIRMZNKBAGVWMK-UHFFFAOYSA-N 70822 cid_15944795::SMR000260710::1-[bis(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propanol;hydrochloride::MLS000391675::1-[bis(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 9255 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=70822 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=70822&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5158495 252648672 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210721 O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)NCc1ccccc1 InChI=1S/C18H17N5O2S/c24-15(19-12-13-7-3-1-4-8-13)11-16-22-23-18(26-16)21-17(25)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,24)(H2,20,21,23,25) JBFJDNATOYHXPF-UHFFFAOYSA-N 96648 SMR000218742::MLS000591795::2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)acetamide::cid_1936567::2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)ethanamide::N-Benzyl-2-[5-(3-phenyl-ureido)-[1,3,4]thiadiazol-2-yl]-acetamide::N-benzyl-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide Trace amine-associated receptor 1 Homo sapiens >29906 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96648 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96648&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1936567 164037892 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210722 OC(CNC1CCCc2ccccc12)COc1c(Cl)cccc1Cl InChI=1S/C19H21Cl2NO2/c20-16-8-4-9-17(21)19(16)24-12-14(23)11-22-18-10-3-6-13-5-1-2-7-15(13)18/h1-2,4-5,7-9,14,18,22-23H,3,6,10-12H2 GQJNFXXFTZTBLZ-UHFFFAOYSA-N 96649 cid_15944923::MLS000334339::1-[2,6-bis(chloranyl)phenoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol;ethanedioic acid::SMR000249097::1-(2,6-dichlorophenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-2-propanol;oxalic acid::1-(2,6-dichlorophenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol;oxalic acid::1-(2,6-dichlorophenoxy)-3-(tetralin-1-ylamino)propan-2-ol;oxalic acid Trace amine-associated receptor 1 Homo sapiens 8843 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96649 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96649&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4875223 164037893 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210723 Fc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 InChI=1S/C20H16FNO2/c21-18-8-4-5-9-19(18)22-20(23)16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23) LAKFNQDTQMMYJV-UHFFFAOYSA-N 96650 4-(benzyloxy)-N-(2-fluorophenyl)benzamide::SMR000270423::N-(2-fluorophenyl)-4-phenylmethoxy-benzamide::N-(2-fluorophenyl)-4-phenylmethoxybenzamide::cid_675055::MLS000665194::4-benzoxy-N-(2-fluorophenyl)benzamide Trace amine-associated receptor 1 Homo sapiens 27705 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96650 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96650&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 675055 164037894 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210724 [H]/N=C(N)/SCc1ccccc1Cl InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11) SFKYKNIIEFCNBX-UHFFFAOYSA-N 50325537 CHEMBL1224310::cid_199161::CHEMBL1229095::S-(2-Chlorobenzyl)isothiourea hydrochloride Trace amine-associated receptor 1 Homo sapiens 5206 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325537 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325537&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 199162 117646858 CHEMBL1229095CHEMBL1224310 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210725 Fc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)cc1 InChI=1S/C18H13FN2O5/c19-12-5-7-13(8-6-12)25-10-16(22)20-21-17(23)14-9-11-3-1-2-4-15(11)26-18(14)24/h1-9H,10H2,(H,20,22)(H,21,23) KCBCAMQRAVGAJE-UHFFFAOYSA-N 96651 N'-[(4-fluorophenoxy)acetyl]-2-oxo-2H-chromene-3-carbohydrazide::N'-[2-(4-fluorophenoxy)-1-oxoethyl]-2-oxo-1-benzopyran-3-carbohydrazide::MLS000701057::cid_996225::SMR000227540::N'-[2-(4-fluoranylphenoxy)ethanoyl]-2-oxidanylidene-chromene-3-carbohydrazide::N'-[2-(4-fluorophenoxy)acetyl]-2-oxochromene-3-carbohydrazide::N'-[2-(4-fluorophenoxy)acetyl]-2-keto-chromene-3-carbohydrazide Trace amine-associated receptor 1 Homo sapiens 10454 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96651 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96651&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 996225 164037895 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210726 Cc1cccc(CSC(N)=N)c1 InChI=1S/C9H12N2S/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H3,10,11) XMHABLGHQHBPRC-UHFFFAOYSA-N 96652 carbamimidothioic acid (3-methylphenyl)methyl ester::cid_2525976::MLS000417716::(3-methylphenyl)methyl carbamimidothioate::SMR000264585::2-(3-methylbenzyl)isothiourea Trace amine-associated receptor 1 Homo sapiens 16908 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96652 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96652&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2525976 164037896 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210727 COc1ccc2OC(C)(C)CC(SCC(=O)NCCc3ccccc3)c2c1 InChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24) AFOTVSJJNDZGNM-UHFFFAOYSA-N 96653 2-[(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)thio]-N-(2-phenylethyl)acetamide::2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)ethanamide::MLS000586810::2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide::SMR000208740::2-[(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)thio]-N-(2-phenylethyl)acetamide::cid_15945446::2-[(6-methoxy-2,2-dimethyl-chroman-4-yl)thio]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 2309 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96653 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96653&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 15945446 164037897 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210728 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]2)-[#6](=O)-c2ccco2)-[#6]-1=O InChI=1S/C16H3N4O4S/c1-17-13(21)11(14(22)18(2)16(17)25)10-19-5-7-20(8-6-19)15(23)12-4-3-9-24-12/h3-4,9H QTZRRJBPILVOQU-UHFFFAOYSA-N 96654 5-[[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione::cid_1233817::5-{[4-(2-furoyl)-1-piperazinyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione::SMR000229424::5-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione::5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione::MLS000700417::5-[[4-(2-furoyl)piperazino]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Trace amine-associated receptor 1 Homo sapiens >29913 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96654 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96654&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1233817 164037898 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210729 Oc1ccc(Cl)cc1C=NCCc1ccccc1 |w:9.10| InChI=1S/C15H14ClNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h1-7,10-11,18H,8-9H2 BVBFOUQMCJEBKN-UHFFFAOYSA-N 96655 (6E)-4-chloranyl-6-[(2-phenylethylamino)methylidene]cyclohexa-2,4-dien-1-one::SMR000230665::MLS000699009::(6E)-4-chloro-6-[(2-phenylethylamino)methylidene]cyclohexa-2,4-dien-1-one::cid_6508103::4-chloro-2-{[(2-phenylethyl)imino]methyl}phenol::(6E)-4-chloro-6-[(2-phenylethylamino)methylidene]-1-cyclohexa-2,4-dienone::(6E)-4-chloro-6-[(phenethylamino)methylene]cyclohexa-2,4-dien-1-one Trace amine-associated receptor 1 Homo sapiens 267.25 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96655 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96655&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6508103 164037899 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210730 C1NCc2cccc3Sc4ccccc4CC1c23 InChI=1S/C16H15NS/c1-2-6-14-11(4-1)8-13-10-17-9-12-5-3-7-15(18-14)16(12)13/h1-7,13,17H,8-10H2 YNLKJTVSDMCHHI-UHFFFAOYSA-N 96656 SMR000224835::MLS000705798::2,3,12,12a-tetrahydro-1H-[1]benzothiepino[4,3,2-de]isoquinoline::cid_13167703 Trace amine-associated receptor 1 Homo sapiens 7103 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96656 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96656&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56620 164037900 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210731 COc1cc(cc(OC)c1OC)C(=O)CCN1CCC(C1)c1ccccc1 InChI=1S/C22H27NO4/c1-25-20-13-18(14-21(26-2)22(20)27-3)19(24)10-12-23-11-9-17(15-23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12,15H2,1-3H3 CBHGHNQKXANTGW-UHFFFAOYSA-N 96657 SMR000268900::MLS000666569::3-(3-phenylpyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride::cid_2894350::3-(3-phenyl-1-pyrrolidinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride::3-(3-phenyl-1-pyrrolidinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone;hydrochloride::3-(3-phenylpyrrolidino)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens 2351 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96657 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96657&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2894351 164037901 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210732 OCCNc1nc(Nc2ccc(O)cc2)nc2ccccc12 InChI=1S/C16H16N4O2/c21-10-9-17-15-13-3-1-2-4-14(13)19-16(20-15)18-11-5-7-12(22)8-6-11/h1-8,21-22H,9-10H2,(H2,17,18,19,20) SGCUSGOCFAKZCA-UHFFFAOYSA-N 60577 4-[[4-(2-hydroxyethylamino)-2-quinazolinyl]amino]phenol;hydrochloride::MLS000124020::4-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-phenol::SMR000124610::cid_2951613::4-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1636 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60577 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60577&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2201168 252640058 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210733 OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12 InChI=1S/C16H16N4O2/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20) WSZFSPUZDXLEOP-UHFFFAOYSA-N 96658 MLS000123992::SMR000124438::3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-phenol::3-[[4-(2-hydroxyethylamino)-2-quinazolinyl]amino]phenol;hydrochloride::cid_16187033::3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 261.05 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96658 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96658&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1816795 164037902 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210734 Cc1cccc(C(CC(=O)NCCc2ccccc2)c2ccccc2)c1O InChI=1S/C24H25NO2/c1-18-9-8-14-21(24(18)27)22(20-12-6-3-7-13-20)17-23(26)25-16-15-19-10-4-2-5-11-19/h2-14,22,27H,15-17H2,1H3,(H,25,26) PMXBRDJGIRULCS-UHFFFAOYSA-N 96659 cid_2939328::SMR000299428::3-(2-hydroxy-3-methylphenyl)-3-phenyl-N-(2-phenylethyl)propanamide::MLS000621693::3-(3-methyl-2-oxidanyl-phenyl)-3-phenyl-N-(2-phenylethyl)propanamide::3-(2-hydroxy-3-methyl-phenyl)-N-phenethyl-3-phenyl-propionamide Trace amine-associated receptor 1 Homo sapiens 4617 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96659 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96659&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2939328 164037903 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210735 CCC(C)(C)n1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)cc1 InChI=1S/C22H27N5O/c1-4-22(2,3)27-21(23-24-25-27)20(17-9-11-19(28)12-10-17)26-14-13-16-7-5-6-8-18(16)15-26/h5-12,20,28H,4,13-15H2,1-3H3 WCXRWXDCUVGDGX-UHFFFAOYSA-N 96660 MLS000715238::4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]phenol;hydrochloride::4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]phenol;hydrochloride::cid_16187406::4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]phenol;hydrochloride::SMR000275217::4-[(1-tert-amyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1256 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96660 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96660&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3201682 164037904 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210736 [O-][N+](=O)c1ccc2c(NC3(CCCCC3)[N+]2=O)c1[N-]CCc1ccccc1 InChI=1S/C20H22N4O3/c25-23-16-9-10-17(24(26)27)18(21-14-11-15-7-3-1-4-8-15)19(16)22-20(23)12-5-2-6-13-20/h1,3-4,7-10,22H,2,5-6,11-14H2 TZVGYUADSGXNJW-UHFFFAOYSA-N 34843 SMR000305450::1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine::5-nitro-1-oxidanyl-N-(2-phenylethyl)spiro[benzimidazole-2,1'-cyclohexane]-4-imine::1-hydroxy-5-nitro-N-(2-phenylethyl)spiro[benzimidazole-2,1'-cyclohexane]-4-imine::MLS000723855::5-nitro-N-(2-phenylethyl)spiro[benzimidazole-2,1'-cyclohexan]-4-amine 1-oxide::cid_16001809::(1-hydroxy-5-nitro-spiro[benzimidazole-2,1'-cyclohexane]-4-ylidene)-phenethyl-amine Trace amine-associated receptor 1 Homo sapiens 8858 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34843 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34843&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16001809 252617489 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210737 CC(C)c1onc(C(=O)NCCc2ccccc2)c1[N+]([O-])=O InChI=1S/C15H17N3O4/c1-10(2)14-13(18(20)21)12(17-22-14)15(19)16-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,19) INQCYKSMNBYODH-UHFFFAOYSA-N 44227 SMR000309522::5-isopropyl-4-nitro-N-(2-phenylethyl)isoxazole-3-carboxamide::4-nitro-N-(2-phenylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide::4-nitro-N-(2-phenylethyl)-5-propan-2-yl-3-isoxazolecarboxamide::MLS000871803::cid_16188050::5-isopropyl-4-nitro-N-phenethyl-isoxazole-3-carboxamide Trace amine-associated receptor 1 Homo sapiens 14425 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44227&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16188050 252624854 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210738 Cc1ccsc1CN=Nc1cn[nH]c(=O)c1Cl |w:8.9| InChI=1S/C10H9ClN4OS/c1-6-2-3-17-8(6)5-13-14-7-4-12-15-10(16)9(7)11/h2-4H,5H2,1H3,(H,15,16) FOLADPCODIRUTA-UHFFFAOYSA-N 96661 5-chloro-4-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one::5-chloranyl-4-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one::cid_5941937::SMR000313072::3-methylthiophene-2-carbaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone::MLS000682989::5-chloro-4-[(2Z)-2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one::5-chloro-4-[(N'Z)-N'-[(3-methyl-2-thienyl)methylene]hydrazino]-1H-pyridazin-6-one Trace amine-associated receptor 1 Homo sapiens 8287 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96661 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96661&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899612 164037905 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210739 OC(COc1ccc(CNCCc2ccccc2F)cc1)CN1CCCCC1 InChI=1S/C23H31FN2O2/c24-23-7-3-2-6-20(23)12-13-25-16-19-8-10-22(11-9-19)28-18-21(27)17-26-14-4-1-5-15-26/h2-3,6-11,21,25,27H,1,4-5,12-18H2 UEPUESIGVKPOIH-UHFFFAOYSA-N 96662 1-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol::SMR000319168::1-[4-({[2-(2-fluorophenyl)ethyl]amino}methyl)phenoxy]-3-piperidin-1-ylpropan-2-ol::1-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]-3-(1-piperidinyl)-2-propanol::MLS000735742::1-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol::cid_16188232::1-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]-3-piperidino-propan-2-ol Trace amine-associated receptor 1 Homo sapiens 13380 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96662 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96662&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16188232 164037906 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210740 OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1 InChI=1S/C19H19NO2S/c21-19(22)11-9-16-8-10-17(18-7-4-14-23-18)20(16)13-12-15-5-2-1-3-6-15/h1-8,10,14H,9,11-13H2,(H,21,22) DHBAWOOZJVXOPU-UHFFFAOYSA-N 96663 3-[1-(2-phenylethyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid::SMR000299607::3-[1-(2-phenylethyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid::MLS000693205::cid_893906::3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid::3-[1-(2-phenylethyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid::3-[1-phenethyl-5-(2-thienyl)pyrrol-2-yl]propionic acid Trace amine-associated receptor 1 Homo sapiens 5934 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96663 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96663&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 893906 164037907 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210741 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)N\N=C\c1ccccc1 InChI=1S/C18H20N4O4S/c1-22(2)27(25,26)16-10-8-15(9-11-16)18(24)19-13-17(23)21-20-12-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,19,24)(H,21,23) VLWNPQJCJOBSDK-UHFFFAOYSA-N 96664 MLS000680181::4-(dimethylsulfamoyl)-N-[2-oxo-2-[(2E)-2-(phenylmethylene)hydrazinyl]ethyl]benzamide::N-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide::4-(dimethylsulfamoyl)-N-[2-oxidanylidene-2-[(2E)-2-(phenylmethylidene)hydrazinyl]ethyl]benzamide::SMR000324447::cid_9652638::N-[2-[(N'E)-N'-benzalhydrazino]-2-keto-ethyl]-4-(dimethylsulfamoyl)benzamide Trace amine-associated receptor 1 Homo sapiens 10749 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96664 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96664&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9652638 164037908 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210742 CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCc1ccccc1F InChI=1S/C19H28FN3O2/c1-19(2,3)13-23-11-10-22-18(25)16(23)12-17(24)21-9-8-14-6-4-5-7-15(14)20/h4-7,16H,8-13H2,1-3H3,(H,21,24)(H,22,25) KDMKDTBNDIRHFJ-UHFFFAOYSA-N 96665 MLS000735415::2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide::SMR000318946::2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[2-(2-fluorophenyl)ethyl]ethanamide::2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[2-(2-fluorophenyl)ethyl]acetamide::cid_16188541::N-[2-(2-fluorophenyl)ethyl]-2-(3-keto-1-neopentyl-piperazin-2-yl)acetamide Trace amine-associated receptor 1 Homo sapiens 11042 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96665 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96665&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16188541 164037909 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210743 CN1CCNC(=O)C1CC(=O)NCCc1ccccc1F InChI=1S/C15H20FN3O2/c1-19-9-8-18-15(21)13(19)10-14(20)17-7-6-11-4-2-3-5-12(11)16/h2-5,13H,6-10H2,1H3,(H,17,20)(H,18,21) KEINNDRYVWLXGF-UHFFFAOYSA-N 96666 cid_16188681::SMR000318821::N-[2-(2-fluorophenyl)ethyl]-2-(1-methyl-3-oxopiperazin-2-yl)acetamide::MLS000735895::N-[2-(2-fluorophenyl)ethyl]-2-(1-methyl-3-oxidanylidene-piperazin-2-yl)ethanamide::N-[2-(2-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2-piperazinyl)acetamide::N-[2-(2-fluorophenyl)ethyl]-2-(3-keto-1-methyl-piperazin-2-yl)acetamide Trace amine-associated receptor 1 Homo sapiens 6603 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96666 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96666&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16188681 164037910 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210744 [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NCCc1ccccc1 InChI=1S/C21H23N3O4/c25-20(22-13-10-16-4-2-1-3-5-16)17-11-14-23(15-12-17)21(26)18-6-8-19(9-7-18)24(27)28/h1-9,17H,10-15H2,(H,22,25) VDMAVTYNBZMUHJ-UHFFFAOYSA-N 96667 SMR000292248::1-[(4-nitrophenyl)-oxomethyl]-N-(2-phenylethyl)-4-piperidinecarboxamide::1-(4-nitrobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide::MLS000662487::1-(4-nitrobenzoyl)-N-(2-phenylethyl)-4-piperidinecarboxamide::cid_1307868::1-(4-nitrophenyl)carbonyl-N-(2-phenylethyl)piperidine-4-carboxamide::1-(4-nitrobenzoyl)-N-phenethyl-isonipecotamide Trace amine-associated receptor 1 Homo sapiens 11481 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96667 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96667&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1307868 164037911 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210745 Cc1ccnc(NC(=O)Nc2ccc3OCOc3c2)c1 InChI=1S/C14H13N3O3/c1-9-4-5-15-13(6-9)17-14(18)16-10-2-3-11-12(7-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18) GPIRZTDUZZSLJU-UHFFFAOYSA-N 95989 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-pyridinyl)urea::SMR000297601::MLS000679434::N-1,3-benzodioxol-5-yl-N'-(4-methyl-2-pyridinyl)urea::cid_6466443::1-(1,3-benzodioxol-5-yl)-3-(4-methylpyridin-2-yl)urea::1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-pyridyl)urea Trace amine-associated receptor 1 Homo sapiens >29916 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=95989 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=95989&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6466443 164037233 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210746 CN(C)c1ccc(\C=N\CC2COc3ccccc3O2)cc1 InChI=1S/C18H20N2O2/c1-20(2)15-9-7-14(8-10-15)11-19-12-16-13-21-17-5-3-4-6-18(17)22-16/h3-11,16H,12-13H2,1-2H3 BBUGRZJWRBZPMS-UHFFFAOYSA-N 96668 SMR000282469::MLS000712702::4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyliminomethyl)-N,N-dimethylaniline::cid_3131752::4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyliminomethyl)-N,N-dimethyl-aniline::[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyliminomethyl)phenyl]-dimethyl-amine Trace amine-associated receptor 1 Homo sapiens 14325 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96668 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96668&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3131752 164037912 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210747 Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5| InChI=1S/C14H11N4O4S/c19-12-6-5-9(7-13(12)20)8-15-17-14(23)16-10-3-1-2-4-11(10)18(21)22/h1-8,20H,(H2,16,17,23)/q-1/p+1 OMDUORFICZAXRI-UHFFFAOYSA-O 76182 MLS000417596::1-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(2-nitrophenyl)thiourea::cid_16189676::1-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(2-nitrophenyl)thiourea::SMR000242678::1-(2-nitrophenyl)-3-[[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea::1-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(2-nitrophenyl)thiourea Trace amine-associated receptor 1 Homo sapiens 7204 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76182 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76182&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16189676 252653372 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210748 CCn1c(C)nc2cc(ccc12)C(=O)NNC(=O)Nc1ccc(Cl)cc1 InChI=1S/C18H18ClN5O2/c1-3-24-11(2)20-15-10-12(4-9-16(15)24)17(25)22-23-18(26)21-14-7-5-13(19)6-8-14/h4-10H,3H2,1-2H3,(H,22,25)(H2,21,23,26) AYJAKCXTRZBMTI-UHFFFAOYSA-N 96669 cid_2324818::1-(4-chlorophenyl)-3-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]urea::SMR000260857::1-(4-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea::MLS000391823::1-(4-chlorophenyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]urea::1-(4-chlorophenyl)-3-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]urea Trace amine-associated receptor 1 Homo sapiens >29905 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96669 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96669&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2324818 164037913 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210749 COc1ccc(CCNC(=O)\C=C\C(O)=O)cc1 InChI=1S/C13H15NO4/c1-18-11-4-2-10(3-5-11)8-9-14-12(15)6-7-13(16)17/h2-7H,8-9H2,1H3,(H,14,15)(H,16,17) ZTFHOBZHPKDEJI-UHFFFAOYSA-N 50136869 CHEMBL345735::cid_2164205::(E)-3-[2-(4-Methoxy-phenyl)-ethylcarbamoyl]-acrylic acid Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136869 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136869&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2164205 104027073 CHEMBL345735 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210750 [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)NCCc1cccc(Cl)c1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6| 96670 MLS000626805::2-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid::SMR000299198::cid_2930673::3-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid::2-[2-(3-chlorophenyl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 3102 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96670 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96670&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2930673 164037914 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210751 CCOc1ccc(cc1CNCCc1ccccc1)[N+]([O-])=O InChI=1S/C17H20N2O3/c1-2-22-17-9-8-16(19(20)21)12-15(17)13-18-11-10-14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3 GMRNMZCWTNASCB-UHFFFAOYSA-N 96671 N-(2-ethoxy-5-nitrobenzyl)-2-phenylethanamine hydrochloride::MLS000664875::N-[(2-ethoxy-5-nitrophenyl)methyl]-2-phenylethanamine;hydrochloride::SMR000294816::cid_2959881::N-[(2-ethoxy-5-nitro-phenyl)methyl]-2-phenyl-ethanamine;hydrochloride::(2-ethoxy-5-nitro-benzyl)-phenethyl-amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 4178 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96671 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96671&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2214948 164037915 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210752 NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1 InChI=1S/C15H17N3O2S2/c16-22(19,20)14-8-6-13(7-9-14)18-15(21)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,19,20)(H2,17,18,21) WIAKAMSWLJQWOR-UHFFFAOYSA-N 88758 MLS000621468::CHEMBL358290::4-({[(2-phenylethyl)amino]carbonothioyl}amino)benzenesulfonamide::cid_892618::1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea::SMR000299554::1-phenethyl-3-(4-sulfamoylphenyl)thiourea Trace amine-associated receptor 1 Homo sapiens 7056 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=88758 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=88758&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 892618 252660383 CHEMBL358290 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210753 COc1cc(C)c(NC(=O)C(=S)NCCc2ccccc2)cc1C InChI=1S/C19H22N2O2S/c1-13-12-17(23-3)14(2)11-16(13)21-18(22)19(24)20-10-9-15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,22) PWDQZICGAYHNGI-UHFFFAOYSA-N 96672 SMR000296428::N-(4-methoxy-2,5-dimethyl-phenyl)-2-(2-phenylethylamino)-2-sulfanylidene-ethanamide::N-(4-methoxy-2,5-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide::MLS000664706::N-(4-methoxy-2,5-dimethylphenyl)-2-[(2-phenylethyl)amino]-2-thioxoacetamide::cid_2976696::N-(4-methoxy-2,5-dimethyl-phenyl)-2-(phenethylamino)-2-thioxo-acetamide Trace amine-associated receptor 1 Homo sapiens 2379 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96672 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96672&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2976696 164037916 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210754 O=C(NC1CCCCC1)C(=S)NCCc1ccccc1 InChI=1S/C16H22N2OS/c19-15(18-14-9-5-2-6-10-14)16(20)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,20)(H,18,19) FCKGXNSHPSQWQB-UHFFFAOYSA-N 96673 cid_2975130::MLS000664817::N-cyclohexyl-2-[(2-phenylethyl)amino]-2-thioxoacetamide::N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide::N-cyclohexyl-2-(2-phenylethylamino)-2-sulfanylidene-ethanamide::SMR000296290::N-cyclohexyl-2-(phenethylamino)-2-thioxo-acetamide Trace amine-associated receptor 1 Homo sapiens 5487 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96673 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96673&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2975130 164037917 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210755 COc1ccccc1CCNCc1ccc(OC)c(OC)c1OC InChI=1S/C19H25NO4/c1-21-16-8-6-5-7-14(16)11-12-20-13-15-9-10-17(22-2)19(24-4)18(15)23-3/h5-10,20H,11-13H2,1-4H3 WYVJHSOPGQCRHR-UHFFFAOYSA-N 96674 MLS000709743::SMR000286910::cid_16189726::2-(2-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid::ethanedioic acid;2-(2-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine::2-(2-methoxyphenyl)ethyl-(2,3,4-trimethoxybenzyl)amine;oxalic acid Trace amine-associated receptor 1 Homo sapiens 10487 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96674 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96674&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2251040 164037918 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210756 COc1ccc(NC(=S)N2CCc3ccccc3C2)cc1OC InChI=1S/C18H20N2O2S/c1-21-16-8-7-15(11-17(16)22-2)19-18(23)20-10-9-13-5-3-4-6-14(13)12-20/h3-8,11H,9-10,12H2,1-2H3,(H,19,23) RGMSGXAHKWMZGR-UHFFFAOYSA-N 96675 SMR000294421::MLS000671920::cid_971456::N-(3,4-dimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide::N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Trace amine-associated receptor 1 Homo sapiens 12339 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96675 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96675&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 971456 164037919 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210757 Nc1sc2CCCc2c1C(=O)NCCc1ccccc1 InChI=1S/C16H18N2OS/c17-15-14(12-7-4-8-13(12)20-15)16(19)18-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2,(H,18,19) PAPFJDBPMCTZRF-UHFFFAOYSA-N 96676 MLS000708160::SMR000287627::2-azanyl-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide::2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide::cid_830161::2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Trace amine-associated receptor 1 Homo sapiens 9935 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96676 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96676&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 830161 164037920 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210758 CC1CCCN(Cc2c(C)c(C#N)c(=O)n(CCO)c2O)C1 InChI=1S/C16H23N3O3/c1-11-4-3-5-18(9-11)10-14-12(2)13(8-17)15(21)19(6-7-20)16(14)22/h11,20,22H,3-7,9-10H2,1-2H3 ILHJYAGLGNWFIG-UHFFFAOYSA-N 96677 MLS000708208::SMR000287675::6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methyl-1-piperidinyl)methyl]-2-oxo-3-pyridinecarbonitrile::cid_3152402::6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile::1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-pyridine-3-carbonitrile::6-hydroxy-1-(2-hydroxyethyl)-2-keto-4-methyl-5-[(3-methylpiperidino)methyl]nicotinonitrile Trace amine-associated receptor 1 Homo sapiens 17515 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96677 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96677&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3152402 164037921 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210759 OC(=O)\C=C\C(=O)NCCc1cccc(Cl)c1 InChI=1S/C12H12ClNO3/c13-10-3-1-2-9(8-10)6-7-14-11(15)4-5-12(16)17/h1-5,8H,6-7H2,(H,14,15)(H,16,17) DBSNKWBSQKGDGB-UHFFFAOYSA-N 96678 (E)-4-[2-(3-chlorophenyl)ethylamino]-4-oxo-2-butenoic acid::SMR000299292::4-{[2-(3-chlorophenyl)ethyl]amino}-4-oxo-2-butenoic acid::MLS000627022::cid_2169847::(E)-4-[2-(3-chlorophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid::(E)-4-[2-(3-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid::(E)-4-[2-(3-chlorophenyl)ethylamino]-4-keto-but-2-enoic acid Trace amine-associated receptor 1 Homo sapiens 3774 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96678 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96678&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2169847 164037922 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210760 OC(=O)\C=C\C(=O)NCCCc1ccccc1 InChI=1S/C13H15NO3/c15-12(8-9-13(16)17)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,14,15)(H,16,17) UZMRICJRXBFDHL-UHFFFAOYSA-N 96679 cid_2167075::(E)-4-oxidanylidene-4-(3-phenylpropylamino)but-2-enoic acid::(E)-4-oxo-4-(3-phenylpropylamino)-2-butenoic acid::SMR000299288::(E)-4-oxo-4-(3-phenylpropylamino)but-2-enoic acid::MLS000627007::4-oxo-4-[(3-phenylpropyl)amino]-2-butenoic acid::(E)-4-keto-4-(3-phenylpropylamino)but-2-enoic acid Trace amine-associated receptor 1 Homo sapiens >29878 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96679 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96679&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2167075 164037923 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210761 O=C(N1CCOCC1)c1nc2ccccn2c1CNCC1OCCc2ccccc12 InChI=1S/C23H26N4O3/c28-23(26-10-13-29-14-11-26)22-19(27-9-4-3-7-21(27)25-22)15-24-16-20-18-6-2-1-5-17(18)8-12-30-20/h1-7,9,20,24H,8,10-16H2 DQRUAMMKPFTAHC-UHFFFAOYSA-N 96680 MLS000734807::[3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-yl-methanone::[3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone::SMR000317786::(3,4-dihydro-1H-isochromen-1-ylmethyl){[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine::[3-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)methyl]-2-imidazo[1,2-a]pyridinyl]-(4-morpholinyl)methanone::cid_16190455::[3-[(isochroman-1-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholino-methanone Trace amine-associated receptor 1 Homo sapiens 11211 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96680 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96680&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16190455 164037924 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210762 Cc1ccn2c(CNCC3OCCc4ccccc34)c(nc2c1)C(=O)N1CCCCCC1 InChI=1S/C26H32N4O2/c1-19-10-14-30-22(17-27-18-23-21-9-5-4-8-20(21)11-15-32-23)25(28-24(30)16-19)26(31)29-12-6-2-3-7-13-29/h4-5,8-10,14,16,23,27H,2-3,6-7,11-13,15,17-18H2,1H3 OZNRBUQKSDONLU-UHFFFAOYSA-N 96681 SMR000317604::azepan-1-yl-[3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]-7-methyl-imidazo[1,2-a]pyridin-2-yl]methanone::azepan-1-yl-[3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone::1-azepanyl-[3-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)methyl]-7-methyl-2-imidazo[1,2-a]pyridinyl]methanone::1-[2-(azepan-1-ylcarbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)methanamine::cid_16191234::MLS000731840::azepan-1-yl-[3-[(isochroman-1-ylmethylamino)methyl]-7-methyl-imidazo[1,2-a]pyridin-2-yl]methanone Trace amine-associated receptor 1 Homo sapiens 9374 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96681 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96681&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16191234 164037925 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210763 Cc1cccn2c(CNCC3OCCc4ccccc34)c(nc12)C(=O)N1CCCCC1 InChI=1S/C25H30N4O2/c1-18-8-7-14-29-21(23(27-24(18)29)25(30)28-12-5-2-6-13-28)16-26-17-22-20-10-4-3-9-19(20)11-15-31-22/h3-4,7-10,14,22,26H,2,5-6,11-13,15-17H2,1H3 YBVBBHPWXAYGLS-UHFFFAOYSA-N 96682 SMR000317531::(3,4-dihydro-1H-isochromen-1-ylmethyl){[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine::cid_16191684::[3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone::MLS000733625::[3-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methyl]-8-methyl-imidazo[1,2-a]pyridin-2-yl]-piperidin-1-yl-methanone::[3-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)methyl]-8-methyl-2-imidazo[1,2-a]pyridinyl]-(1-piperidinyl)methanone::[3-[(isochroman-1-ylmethylamino)methyl]-8-methyl-imidazo[1,2-a]pyridin-2-yl]-piperidino-methanone Trace amine-associated receptor 1 Homo sapiens 4824 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96682 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96682&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16191684 164037926 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210764 OC(=O)C1CCCCC1C(=O)NCCc1ccc(F)cc1 InChI=1S/C16H20FNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14H,1-4,9-10H2,(H,18,19)(H,20,21) WSXUCWDHQOSETM-UHFFFAOYSA-N 96683 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid::MLS000714163::2-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid::SMR000274143::cid_3112062::2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Trace amine-associated receptor 1 Homo sapiens 8151 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96683 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96683&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3112062 164037927 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210765 CC1CCCN(C1)C(=S)SCC(=O)c1cc(Br)cc(Br)c1O InChI=1S/C15H17Br2NO2S2/c1-9-3-2-4-18(7-9)15(21)22-8-13(19)11-5-10(16)6-12(17)14(11)20/h5-6,9,20H,2-4,7-8H2,1H3 WVXUIXINYPYVRB-UHFFFAOYSA-N 34887 MLS000715279::[2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate::[2-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-oxidanylidene-ethyl] 3-methylpiperidine-1-carbodithioate::SMR000275258::cid_3114299::3-methyl-1-piperidinecarbodithioic acid [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] ester::3-methylpiperidine-1-carbodithioic acid [2-(3,5-dibromo-2-hydroxy-phenyl)-2-keto-ethyl] ester Trace amine-associated receptor 1 Homo sapiens 4685 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34887 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34887&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3114299 252617532 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210766 CC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c3cccc1c23 InChI=1S/C22H17NO3/c1-14(24)16-10-11-19-20-17(16)8-5-9-18(20)21(25)23(22(19)26)13-12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3 IYQGUSRVQQAKLP-UHFFFAOYSA-N 96684 SMR000289583::MLS000765478::6-ethanoyl-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione::cid_2929978::6-acetyl-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione::6-acetyl-2-phenethyl-benzo[de]isoquinoline-1,3-quinone Trace amine-associated receptor 1 Homo sapiens 12367 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96684 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96684&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2929978 164037928 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210767 O=C(CCCOc1ccccc1)NCCc1ccccc1 InChI=1S/C18H21NO2/c20-18(19-14-13-16-8-3-1-4-9-16)12-7-15-21-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,19,20) QQKOZHMLNCZOGL-UHFFFAOYSA-N 96685 SMR000281017::cid_1570021::4-phenoxy-N-(2-phenylethyl)butanamide::MLS000711250::N-phenethyl-4-phenoxy-butyramide Trace amine-associated receptor 1 Homo sapiens 17271 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96685 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96685&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1570021 164037929 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210768 Nc1c(NCCc2ccccc2)c2ccccc2oc1=O InChI=1S/C17H16N2O2/c18-15-16(19-11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)21-17(15)20/h1-9,19H,10-11,18H2 RCDGIBAZGMGOCN-UHFFFAOYSA-N 96686 3-amino-4-(2-phenylethylamino)chromen-2-one::cid_746603::SMR000283676::MLS000687731::3-azanyl-4-(2-phenylethylamino)chromen-2-one::3-amino-4-(2-phenylethylamino)-1-benzopyran-2-one::3-amino-4-(phenethylamino)coumarin Trace amine-associated receptor 1 Homo sapiens 6402 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96686 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96686&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 746603 164037930 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210769 CNCC(C)c1ccccc1 InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 AUFSOOYCQYDGES-UHFFFAOYSA-N 96687 N-methyl-2-phenylpropan-1-amine;hydrochloride::N-methyl-2-phenyl-1-propanamine;hydrochloride::N-methyl-2-phenyl-propan-1-amine;hydrochloride::SMR000289130::MLS000708563::cid_22275::methyl(2-phenylpropyl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 3542 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96687 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96687&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 22276 164037931 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210770 O=C(Nc1ccccc1)Nc1ccncc1 InChI=1S/C12H11N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-9H,(H2,13,14,15,16) WZYOSMAXXLCTGP-UHFFFAOYSA-N 69223 cid_4074688::1-phenyl-3-pyridin-4-yl-urea::1-phenyl-3-pyridin-4-ylurea::MLS000719252::SMR000291520::1-phenyl-3-(4-pyridyl)urea Trace amine-associated receptor 1 Homo sapiens 7053 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=69223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=69223&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4074688 252647391 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210771 NCCc1nc(cs1)-c1ccccc1 InChI=1S/C11H12N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2 PBZAFLUKYPTHFG-UHFFFAOYSA-N 96688 MLS000718869::2-(4-phenyl-2-thiazolyl)ethanamine;hydrochloride::SMR000291137::2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride::cid_16192921::2-(4-phenylthiazol-2-yl)ethylamine;hydrochloride Trace amine-associated receptor 1 Homo sapiens >29875 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96688 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96688&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1497794 164037932 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210772 Fc1cccc(c1)C(=O)NCC(=O)N\N=C\C=C\c1ccccc1 InChI=1S/C18H16FN3O2/c19-16-10-4-9-15(12-16)18(24)20-13-17(23)22-21-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,24)(H,22,23) RFABLNLMMRWDJH-UHFFFAOYSA-N 96689 3-fluoranyl-N-[2-oxidanylidene-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide::MLS000727933::3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide::3-fluoro-N-(2-oxo-2-{(2E)-2-[(2E)-3-phenylprop-2-enylidene]hydrazino}ethyl)benzamide::cid_6870484::SMR000306627::3-fluoro-N-[2-keto-2-[(N'E)-N'-[(E)-3-phenylprop-2-enylidene]hydrazino]ethyl]benzamide Trace amine-associated receptor 1 Homo sapiens 18454 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96689 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96689&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6870484 164037933 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210773 NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 |(8.62,11.96,;8.62,10.42,;10.16,10.42,;7.08,10.42,;8.62,8.88,;9.95,8.11,;9.95,6.57,;8.62,5.8,;8.62,4.26,;7.29,3.49,;7.29,1.95,;5.95,1.18,;4.62,1.95,;5.95,-.36,;7.29,-1.13,;7.29,-2.67,;5.95,-3.44,;5.95,-4.98,;4.62,-5.75,;4.62,-7.29,;3.08,-7.29,;6.16,-7.29,;4.62,-8.83,;3.37,-9.73,;3.85,-11.2,;5.39,-11.2,;6.3,-12.44,;5.87,-9.73,;4.62,-2.67,;4.62,-1.13,;7.29,6.57,;7.29,8.11,)| InChI=1S/C20H26BrN3O5S3/c21-18-9-10-19(30-18)32(28,29)24-13-15-1-5-16(6-2-15)20(25)23-12-11-14-3-7-17(8-4-14)31(22,26)27/h3-4,7-10,15-16,24H,1-2,5-6,11-13H2,(H,23,25)(H2,22,26,27) CBOQERIHQXTZHA-UHFFFAOYSA-N 96690 SMR000313946::4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide::N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-({[(5-bromothien-2-yl)sulfonyl]amino}methyl)cyclohexanecarboxamide::4-[[(5-bromanylthiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide::MLS000675224::cid_16193924::4-[[(5-bromo-2-thiophenyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1-cyclohexanecarboxamide::4-[[(5-bromo-2-thienyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexanecarboxamide Trace amine-associated receptor 1 Homo sapiens 1161 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96690 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96690&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16193924 164037934 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210774 [#6]-[#8]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7] InChI=1S/C8H4N3O/c1-12-7-4-2-3-6(5-7)11-8(9)10/h2-5H MXELDORKWJKGCS-UHFFFAOYSA-N 96691 MLS000731350::CHEMBL43459::SMR000309625::cid_16194082::N-(3-methoxyphenyl)guanidine::2-(3-methoxyphenyl)guanidine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 5044 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96691 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96691&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 7018035 164037935 CHEMBL43459 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210775 Cc1cc(c(C)s1)S(=O)(=O)Nc1cccc(Cl)c1 InChI=1S/C12H12ClNO2S2/c1-8-6-12(9(2)17-8)18(15,16)14-11-5-3-4-10(13)7-11/h3-7,14H,1-2H3 MVYKXJXFTFFIJF-UHFFFAOYSA-N 96692 MLS000675002::N-(3-chlorophenyl)-2,5-dimethyl-3-thiophenesulfonamide::cid_718460::SMR000313605::N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide::N-(3-chlorophenyl)-2,5-dimethyl-thiophene-3-sulfonamide Trace amine-associated receptor 1 Homo sapiens 8665 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96692 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96692&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 718460 164037936 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210776 OC(=O)\C=C\C(=O)NCCc1ccccc1 InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16) IREPTAJLMFBTRP-UHFFFAOYSA-N 50136861 CHEMBL152670::cid_1551727::(E)-3-Phenethylcarbamoyl-acrylic acid Trace amine-associated receptor 1 Homo sapiens 1188 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136861 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136861&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1551727 104027065 CHEMBL152670 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210777 COc1ccc(Nc2cc(C)c3c(cccc3=O)[nH]2)cc1 InChI=1S/C17H16N2O2/c1-11-10-16(18-12-6-8-13(21-2)9-7-12)19-14-4-3-5-15(20)17(11)14/h3-10,18-19H,1-2H3 CQULVYWHTKNPNI-UHFFFAOYSA-N 50500 2-[(4-methoxyphenyl)amino]-4-methylquinolin-5-ol::cid_16194449::MLS000674790::2-[(4-methoxyphenyl)amino]-4-methyl-1H-quinolin-5-one::SMR000314231::2-(4-methoxyanilino)-4-methyl-1H-quinolin-5-one::4-methyl-2-(p-anisidino)-1H-quinolin-5-one Trace amine-associated receptor 1 Homo sapiens 10121 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50500 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50500&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16194449 252630760 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210778 OC(=O)\C=C\C(=O)NCCC1=CCCCC1 |t:10| InChI=1S/C12H17NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,13,14)(H,15,16) DUMIYBZROAZLRP-UHFFFAOYSA-N 96693 cid_5890451::(E)-4-[2-(1-cyclohexenyl)ethylamino]-4-oxo-2-butenoic acid::MLS000685629::(2E)-4-[(2-cyclohex-1-en-1-ylethyl)amino]-4-oxobut-2-enoic acid::(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxidanylidene-but-2-enoic acid::SMR000312593::(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid::(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-keto-but-2-enoic acid Trace amine-associated receptor 1 Homo sapiens 7646 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96693 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96693&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5890451 164037937 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210779 O=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccccc1 InChI=1S/C20H23N3O5S/c24-19(21-12-11-16-7-3-1-4-8-16)20(25)22-15-18-23(13-14-28-18)29(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)(H,22,25) QUGQWHKNNVTZMZ-UHFFFAOYSA-N 96694 MLS000419634::N'-[[3-(benzenesulfonyl)-2-oxazolidinyl]methyl]-N-(2-phenylethyl)oxamide::cid_16194546::N-(2-phenylethyl)-N'-[[3-(phenylsulfonyl)-1,3-oxazolidin-2-yl]methyl]ethanediamide::SMR000320481::N'-[[3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-phenylethyl)oxamide::N'-[(3-besyloxazolidin-2-yl)methyl]-N-phenethyl-oxamide Trace amine-associated receptor 1 Homo sapiens 11762 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96694 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96694&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16194546 164037938 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210780 O=C(NCCc1ccccc1)c1cnc2SCCn2c1=O InChI=1S/C15H15N3O2S/c19-13(16-7-6-11-4-2-1-3-5-11)12-10-17-15-18(14(12)20)8-9-21-15/h1-5,10H,6-9H2,(H,16,19) MQEPZTDNFBKHOA-UHFFFAOYSA-N 73673 5-oxo-N-(2-phenylethyl)-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide::SMR000319837::5-oxidanylidene-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide::cid_4458479::5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide::MLS000419118::5-keto-N-phenethyl-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide Trace amine-associated receptor 1 Homo sapiens 16564 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=73673 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=73673&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4458479 252650913 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210781 CN1CCN(CC1)c1ccc(NC(=O)CSc2ccc(C)cc2C)cc1F InChI=1S/C21H26FN3OS/c1-15-4-7-20(16(2)12-15)27-14-21(26)23-17-5-6-19(18(22)13-17)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26) VGJLNUWAZCMSLC-UHFFFAOYSA-N 96695 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]ethanamide::2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]acetamide::MLS000721637::SMR000335942::2-[(2,4-dimethylphenyl)sulfanyl]-N-[3-fluoro-4-(4-methylpiperazino)phenyl]acetamide::cid_4416228::2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]acetamide::2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-methylpiperazino)phenyl]acetamide Trace amine-associated receptor 1 Homo sapiens 5547 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96695 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96695&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4416228 164037939 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210782 c1ccc(cc1)CCNC2=CNC(=O)NC2=O InChI=1S/C12H13N3O2/c16-11-10(8-14-12(17)15-11)13-7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,14,15,16,17) YTAWLGVMCALKQG-UHFFFAOYSA-N 71074 MLS000716742::5-(2-phenylethylamino)-1H-pyrimidine-2,4-dione::cid_309182::SMR000278259::5-(phenethylamino)uracil Trace amine-associated receptor 1 Homo sapiens 604.36 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71074 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=71074&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search A1H9S 9F4Q 309182 252648717 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210783 Cc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C13H10Cl2N8O3/c1-5-9(23(22-17-5)11-10(16)20-26-21-11)13(25)19-18-12(24)6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H2,16,20)(H,18,24)(H,19,25) ZQHADAHYQFTKRW-UHFFFAOYSA-N 96696 cid_3960357::3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N'-(3,4-dichlorophenyl)carbonyl-5-methyl-1,2,3-triazole-4-carbohydrazide::MLS000728194::3-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,4-dichlorobenzoyl)-5-methyltriazole-4-carbohydrazide::SMR000306887::3-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3,4-dichlorophenyl)-oxomethyl]-5-methyl-4-triazolecarbohydrazide::1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,4-dichlorobenzoyl)-4-methyl-1H-1,2,3-triazole-5-carbohydrazide::3-(4-aminofurazan-3-yl)-N'-(3,4-dichlorobenzoyl)-5-methyl-triazole-4-carbohydrazide Trace amine-associated receptor 1 Homo sapiens >29905 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96696 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96696&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3960357 164037940 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210784 O=c1cnnc(Nc2ccccc2)[nH]1 InChI=1S/C9H8N4O/c14-8-6-10-13-9(12-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14) XJANMFIZMSJZEJ-UHFFFAOYSA-N 96697 3-phenylazanyl-2H-1,2,4-triazin-5-one::SMR000313803::3-anilino-1,2,4-triazin-5(4H)-one::MLS000675081::cid_2153989::3-anilino-2H-1,2,4-triazin-5-one Trace amine-associated receptor 1 Homo sapiens >29856 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96697 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96697&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2153989 164037941 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210785 CC(Cc1ccccc1)NC(=O)\C=C\C(O)=O InChI=1S/C13H15NO3/c1-10(9-11-5-3-2-4-6-11)14-12(15)7-8-13(16)17/h2-8,10H,9H2,1H3,(H,14,15)(H,16,17) PBKAUTSUBNRJGW-UHFFFAOYSA-N 96698 cid_5716919::(E)-4-oxo-4-(1-phenylpropan-2-ylamino)-2-butenoic acid::MLS000685467::(E)-4-oxidanylidene-4-(1-phenylpropan-2-ylamino)but-2-enoic acid::(E)-4-oxo-4-(1-phenylpropan-2-ylamino)but-2-enoic acid::(2E)-4-[(1-methyl-2-phenylethyl)amino]-4-oxobut-2-enoic acid::SMR000312431::(E)-4-keto-4-[(1-methyl-2-phenyl-ethyl)amino]but-2-enoic acid Trace amine-associated receptor 1 Homo sapiens 10687 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96698 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96698&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5716919 164037942 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210786 Clc1c(cn[nH]c1=O)N=NCc1cccs1 |w:8.8| InChI=1S/C9H7ClN4OS/c10-8-7(5-12-14-9(8)15)13-11-4-6-2-1-3-16-6/h1-3,5H,4H2,(H,14,15) TYIOSYIEWFCMFI-UHFFFAOYSA-N 96699 thiophene-2-carbaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone::5-chloro-4-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one::SMR000312882::cid_5932754::MLS000689638::5-chloranyl-4-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one::5-chloro-4-[(N'Z)-N'-(2-thenylidene)hydrazino]-1H-pyridazin-6-one Trace amine-associated receptor 1 Homo sapiens 17246 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96699 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96699&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899613 164037943 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210787 Oc1ccc(CN=Nc2cn[nH]c(=O)c2Cl)c(O)c1 |w:7.7| InChI=1S/C11H9ClN4O3/c12-10-8(5-14-16-11(10)19)15-13-4-6-1-2-7(17)3-9(6)18/h1-3,5,17-18H,4H2,(H,16,19) KXPKGDAHDBAAJV-UHFFFAOYSA-N 60686 5-chloranyl-4-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1H-pyridazin-6-one::MLS000689635::5-chloro-4-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-1H-pyridazin-6-one::cid_16195570::5-chloro-4-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1H-pyridazin-6-one::SMR000312879::2,4-dihydroxybenzaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone::5-chloro-4-[N'-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-1H-pyridazin-6-one Trace amine-associated receptor 1 Homo sapiens 24488 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60686 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60686&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91897456 252640078 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210788 CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6| InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3 BIXJFIJYBLJTMK-UHFFFAOYSA-N 50016479 CHEMBL160976::LYSERGOL::CHEMBL39947::cid_14987::(7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinolin-9-yl)-methanol Trace amine-associated receptor 1 Homo sapiens 4577 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50016479 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50016479&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 14987 103927877 CHEMBL39947CHEMBL160976 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210789 Clc1nsc(NCCc2ccccc2)c1C#N InChI=1S/C12H10ClN3S/c13-11-10(8-14)12(17-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,15H,6-7H2 BOLGJEONPMUAMD-UHFFFAOYSA-N 96700 SMR000337537::cid_3787753::3-chloranyl-5-(2-phenylethylamino)-1,2-thiazole-4-carbonitrile::3-chloro-5-(2-phenylethylamino)-4-isothiazolecarbonitrile::MLS000696339::3-chloro-5-(2-phenylethylamino)-1,2-thiazole-4-carbonitrile::3-chloro-5-(phenethylamino)-4-isothiazolecarbonitrile::3-chloro-5-(phenethylamino)isothiazole-4-carbonitrile Trace amine-associated receptor 1 Homo sapiens 2256 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96700 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96700&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3787753 164037944 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210790 CCOC(=O)C1CCCN(C1)C(c1c(C)[nH]c2ccccc12)c1ccccn1 InChI=1S/C23H27N3O2/c1-3-28-23(27)17-9-8-14-26(15-17)22(20-12-6-7-13-24-20)21-16(2)25-19-11-5-4-10-18(19)21/h4-7,10-13,17,22,25H,3,8-9,14-15H2,1-2H3 FPXBSNFPTGKXLT-UHFFFAOYSA-N 96701 ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-yl-methyl]piperidine-3-carboxylate::MLS001011263::cid_3370345::ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylate::SMR000353221::1-[(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid ethyl ester::1-[(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]nipecotic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 2649 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96701 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96701&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3370345 164037945 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210791 O=C(CNCCc1ccccc1)N1CCc2ccccc2C1 InChI=1S/C19H22N2O/c22-19(14-20-12-10-16-6-2-1-3-7-16)21-13-11-17-8-4-5-9-18(17)15-21/h1-9,20H,10-15H2 OZKNLHUHDSYABU-UHFFFAOYSA-N 96702 SMR000352617::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenylethylamino)ethanone;ethanedioic acid::cid_16195935::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenylethylamino)ethanone;oxalic acid::MLS001007424::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone;oxalic acid Trace amine-associated receptor 1 Homo sapiens 5517 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96702 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96702&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2095232 164037946 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210792 C(C(N=Nc1ccccc1)c1ccccc1)c1ncc[nH]1 |w:2.1| InChI=1S/C17H16N4/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)21-20-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,18,19) RVHAIXYNFINMAN-UHFFFAOYSA-N 96703 N-[(E)-[2-(1H-imidazol-2-yl)-1-phenyl-ethylidene]amino]aniline::cid_9684139::SMR000343598::MLS000770180::N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]aniline::[(E)-[2-(1H-imidazol-2-yl)-1-phenyl-ethylidene]amino]-phenyl-amine Trace amine-associated receptor 1 Homo sapiens 925 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96703 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96703&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899614 164037947 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210793 Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1CCc1ccccc1 |t:10| InChI=1S/C21H23N3O4/c1-14-12-17(15(2)24(14)11-10-16-6-4-3-5-7-16)19(25)13-28-21(27)18-8-9-20(26)23-22-18/h3-7,12H,8-11,13H2,1-2H3,(H,23,26) GGYZGSNSYVBSRT-UHFFFAOYSA-N 96704 [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate::MLS000517510::cid_3450662::[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate::SMR000343497::6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-oxoethyl] ester::6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Trace amine-associated receptor 1 Homo sapiens 7202 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96704 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96704&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3450662 164037948 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210794 NNC(=S)NCCc1ccccc1 InChI=1S/C9H13N3S/c10-12-9(13)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13) OBHWDZDVKIOZLQ-UHFFFAOYSA-N 96705 1-azanyl-3-(2-phenylethyl)thiourea::MLS001006800::cid_2305793::1-amino-3-(2-phenylethyl)thiourea::SMR000349690::1-amino-3-phenethyl-thiourea Trace amine-associated receptor 1 Homo sapiens 10382 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96705 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96705&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2305793 164037949 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210795 Cc1cc(C(=O)CCl)c(C)n1CCc1ccccc1 InChI=1S/C16H18ClNO/c1-12-10-15(16(19)11-17)13(2)18(12)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3 BJNGSBJHZVXNCB-UHFFFAOYSA-N 54352 MLS001018480::2-chloro-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone::cid_1536623::2-chloranyl-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone::SMR000354710::2-chloro-1-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]ethanone::2-chloro-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Trace amine-associated receptor 1 Homo sapiens 9063 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=54352 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=54352&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1536623 252634382 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210796 Cc1cc(c(C)n1CC1CCCO1)C1=NN=C(NCCc2ccccc2)SC1 |t:15,17| InChI=1S/C22H28N4OS/c1-16-13-20(17(2)26(16)14-19-9-6-12-27-19)21-15-28-22(25-24-21)23-11-10-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,23,25) IOUBKDMPWNIBMZ-UHFFFAOYSA-N 96706 5-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-N-(2-phenylethyl)-6H-1,3,4-thiadiazin-2-amine::MLS000516835::cid_4591140::5-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-N-(2-phenylethyl)-6H-1,3,4-thiadiazin-2-amine::SMR000342950::[5-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-yl]-phenethyl-amine Trace amine-associated receptor 1 Homo sapiens 2839 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96706 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96706&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4591140 164037950 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210797 CCNC1=NN=C(CS1)c1cc(C)n(CCc2ccccc2)c1C |c:5,t:3| InChI=1S/C19H24N4S/c1-4-20-19-22-21-18(13-24-19)17-12-14(2)23(15(17)3)11-10-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22) UTCRFWYTNUUBSA-UHFFFAOYSA-N 96707 cid_16196282::5-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-N-ethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride::SMR000377413::5-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-N-ethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride::MLS000772842::[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]-ethyl-amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1058 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96707 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96707&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4879418 164037951 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210798 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cn(nc1-c1cccs1)-c1ccccc1 |w:4.3| InChI=1S/C15H9N6S/c16-15(17)19-18-9-11-10-21(12-5-2-1-3-6-12)20-14(11)13-7-4-8-22-13/h1-8,10H MFNOPOTUNBNVCH-UHFFFAOYSA-N 68155 nitric acid;2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]guanidine::nitric acid;2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]guanidine::SMR000384079::nitric acid;2-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]guanidine::nitric acid;2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]guanidine::MLS001005764::cid_16196355::nitric acid;2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]guanidine Trace amine-associated receptor 1 Homo sapiens 17656 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68155 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68155&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16239029 252646432 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210799 [#6]\[#6](-[#6])=[#7]\[#7]=[#6](-[#7])-[#16]-[#6]-c1ccccc1 |w:4.3| InChI=1S/C11H5N3S/c1-9(2)13-14-11(12)15-8-10-6-4-3-5-7-10/h3-7H ZHJCYEBLKNGOLT-UHFFFAOYSA-N 96709 cid_5385994::MLS001032917::benzyl N'-(propan-2-ylideneamino)carbamimidothioate::N'-(propan-2-ylideneamino)carbamimidothioic acid (phenylmethyl) ester::SMR000363448::(phenylmethyl) N'-(propan-2-ylideneamino)carbamimidothioate::2-benzyl-3-(isopropylideneamino)isothiourea Trace amine-associated receptor 1 Homo sapiens 13480 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96709 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96709&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5385994 164037953 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210800 CC(N=C1NCCS1)c1ccccc1 |w:2.1| InChI=1S/C11H14N2S/c1-9(10-5-3-2-4-6-10)13-11-12-7-8-14-11/h2-6,9H,7-8H2,1H3,(H,12,13) JXFZUEXOEBPBHP-UHFFFAOYSA-N 96710 MLS000760244::N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine::N-(1-phenylethyl)-4,5-dihydrothiazol-2-amine::SMR000373010::cid_3856622::1-phenylethyl(2-thiazolin-2-yl)amine Trace amine-associated receptor 1 Homo sapiens 15777 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96710 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96710&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3856622 164037954 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210801 COc1ccccc1N1CN(CCc2ccccc2)CNC1=S InChI=1S/C18H21N3OS/c1-22-17-10-6-5-9-16(17)21-14-20(13-19-18(21)23)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,23) GIWJBXDWEIKPAK-UHFFFAOYSA-N 96711 MLS000559998::1-(2-methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione::cid_751683::SMR000439388::1-(2-Methoxy-phenyl)-5-phenethyl-[1,3,5]triazinane-2-thione::1-(2-methoxyphenyl)-5-phenethyl-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 6106 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96711 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96711&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 751683 164037955 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210802 Fc1cccc(c1)C1=NOC(C1)C(=O)NCCc1cccs1 |t:8| InChI=1S/C16H15FN2O2S/c17-12-4-1-3-11(9-12)14-10-15(21-19-14)16(20)18-7-6-13-5-2-8-22-13/h1-5,8-9,15H,6-7,10H2,(H,18,20) KZRUZVWJMPAJEF-UHFFFAOYSA-N 96712 3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide::SMR000390775::MLS000561881::cid_16681852::3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-4,5-dihydroisoxazole-5-carboxamide::3-(3-fluorophenyl)-N-[2-(2-thienyl)ethyl]-2-isoxazoline-5-carboxamide Trace amine-associated receptor 1 Homo sapiens 2595 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96712 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96712&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16681852 164037956 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210803 Cc1nn(CC(=O)N\N=C\c2cccs2)c(C)c1[N+]([O-])=O InChI=1S/C12H13N5O3S/c1-8-12(17(19)20)9(2)16(15-8)7-11(18)14-13-6-10-4-3-5-21-10/h3-6H,7H2,1-2H3,(H,14,18) XRTNNKAOVLZBAZ-UHFFFAOYSA-N 96713 (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetic acid [1-thiophen-2-yl-meth-(E)-ylidene]-hydrazide::cid_6868679::2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide::SMR000435918::2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide::MLS000332641::2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide::2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(E)-2-thenylideneamino]acetamide Trace amine-associated receptor 1 Homo sapiens >29905 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96713 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96713&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6868679 164037957 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210804 C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21 |w:8.8| InChI=1S/C20H20N2/c1-2-7-15(8-3-1)13-14-21-19-12-6-10-17-16-9-4-5-11-18(16)22-20(17)19/h1-5,7-9,11,22H,6,10,12-14H2 OFKPNWSGKKQHTO-UHFFFAOYSA-N 96714 MLS001029433::SMR000425552::cid_16682005::Phenethyl-[2,3,4,9-tetrahydro-carbazol-(1E)-ylidene]-amine::N-(2-phenylethyl)-3,4-dihydro-2H-carbazol-1-amine;hydrochloride::3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 341.06 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96714 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96714&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5452969 164037958 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210805 Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7| InChI=1S/C16H12ClN3O2/c17-11-2-3-12-13(5-6-18-14(12)8-11)20-19-9-10-1-4-15(21)16(22)7-10/h1-8,21-22H,9H2 NJXVUCBMPGIMQN-UHFFFAOYSA-N 46582 (4Z)-4-[[2-(7-chloroquinolin-4-yl)hydrazinyl]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one::MLS000760794::SMR000370908::cid_6524677::(4Z)-4-[[(7-chloro-4-quinolinyl)hydrazo]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone::(4Z)-4-[[2-(7-chloranylquinolin-4-yl)hydrazinyl]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one::(4Z)-4-[[N'-(7-chloro-4-quinolyl)hydrazino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Trace amine-associated receptor 1 Homo sapiens 2472 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=46582 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=46582&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91896687 252627135 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210806 Nc1nc(cn1\N=C\c1ccccc1)-c1ccccc1 InChI=1S/C16H14N4/c17-16-19-15(14-9-5-2-6-10-14)12-20(16)18-11-13-7-3-1-4-8-13/h1-12H,(H2,17,19) WWRNHYJLVIXUEJ-UHFFFAOYSA-N 96715 4-phenyl-1-[(E)-(phenylmethylene)amino]-2-imidazolamine::MLS001047458::cid_6858937::4-Phenyl-N*1*-[1-phenyl-meth-(E)-ylidene]-imidazole-1,2-diamine::SMR000427850::4-phenyl-1-[(E)-(phenylmethylidene)amino]imidazol-2-amine::1-[(E)-benzylideneamino]-4-phenylimidazol-2-amine::[1-[(E)-benzalamino]-4-phenyl-imidazol-2-yl]amine Trace amine-associated receptor 1 Homo sapiens 8470 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96715 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96715&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6858937 164037959 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210807 Cc1cc(N=NCc2ccccc2O)nc(n1)N1CCOCC1 |w:4.3| InChI=1S/C16H19N5O2/c1-12-10-15(19-16(18-12)21-6-8-23-9-7-21)20-17-11-13-4-2-3-5-14(13)22/h2-5,10,22H,6-9,11H2,1H3 VTLGONVGSCQRNK-UHFFFAOYSA-N 96716 (6E)-6-[[2-(6-methyl-2-morpholin-4-yl-pyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::2-[(6-Methyl-2-morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-phenol::(6E)-6-[[2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::MLS000777512::SMR000413906::(6E)-6-[[[6-methyl-2-(4-morpholinyl)-4-pyrimidinyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone::cid_5881647::(6E)-6-[[N'-(6-methyl-2-morpholino-pyrimidin-4-yl)hydrazino]methylene]cyclohexa-2,4-dien-1-one Trace amine-associated receptor 1 Homo sapiens 2519 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96716 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96716&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899615 164037960 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210808 Cc1cc(N=NCc2ccc(O)cc2O)nc(n1)N1CCOCC1 |w:4.3| InChI=1S/C16H19N5O3/c1-11-8-15(19-16(18-11)21-4-6-24-7-5-21)20-17-10-12-2-3-13(22)9-14(12)23/h2-3,8-9,22-23H,4-7,10H2,1H3 LSNCXQWPFQEUSC-UHFFFAOYSA-N 60756 (4E)-3-hydroxy-4-[[[6-methyl-2-(4-morpholinyl)-4-pyrimidinyl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone::(4E)-4-[[2-(6-methyl-2-morpholin-4-yl-pyrimidin-4-yl)hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one::MLS000777511::4-[(6-Methyl-2-morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol::(4E)-3-hydroxy-4-[[2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one::SMR000413905::cid_6518809::(4E)-3-hydroxy-4-[[N'-(6-methyl-2-morpholino-pyrimidin-4-yl)hydrazino]methylene]cyclohexa-2,5-dien-1-one Trace amine-associated receptor 1 Homo sapiens 15426 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60756 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60756&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91897458 252640091 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210809 [#6]-[#6]\[#6](-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O InChI=1S/C15H5N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7H AJAMIIBZLQFUNE-UHFFFAOYSA-N 96717 5-(1-Phenethylamino-propylidene)-pyrimidine-2,4,6-trione::5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione::MLS000333718::cid_5517140::SMR000437842::5-[1-(phenethylamino)propylidene]barbituric acid Trace amine-associated receptor 1 Homo sapiens 28615 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96717 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96717&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5517140 164037961 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210810 CCc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S InChI=1S/C19H23N3S/c1-2-16-8-10-18(11-9-16)22-15-21(14-20-19(22)23)13-12-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,20,23) LGRTWEQMDUSWTN-UHFFFAOYSA-N 96718 cid_751678::MLS000769865::1-(4-Ethyl-phenyl)-5-phenethyl-[1,3,5]triazinane-2-thione::1-(4-ethylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione::SMR000434598::1-(4-ethylphenyl)-5-phenethyl-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 9180 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96718 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96718&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 751678 164037962 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210811 Cc1ccsc1C=NNC(=O)Cn1nc(C)c(c1C)[N+]([O-])=O |w:7.8| InChI=1S/C13H15N5O3S/c1-8-4-5-22-11(8)6-14-15-12(19)7-17-10(3)13(18(20)21)9(2)16-17/h4-6H,7H2,1-3H3,(H,15,19) PSVSMZYIHLCNPG-UHFFFAOYSA-N 96719 cid_6869784::SMR000435920::MLS000332562::2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide::2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]acetamide::(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetic acid [1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide::2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]ethanamide::2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(E)-(3-methyl-2-thienyl)methyleneamino]acetamide Trace amine-associated receptor 1 Homo sapiens 5806 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96719 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96719&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6869784 164037963 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210812 Cc1ccc(C)c(c1)N1CN(CCC2=CCCCC2)CNC1=S |t:14| InChI=1S/C19H27N3S/c1-15-8-9-16(2)18(12-15)22-14-21(13-20-19(22)23)11-10-17-6-4-3-5-7-17/h6,8-9,12H,3-5,7,10-11,13-14H2,1-2H3,(H,20,23) HHMQCIUDGARMHE-UHFFFAOYSA-N 96720 5-[2-(1-cyclohexenyl)ethyl]-1-(2,5-dimethylphenyl)-1,3,5-triazinane-2-thione::MLS000769887::5-(2-Cyclohex-1-enyl-ethyl)-1-(2,5-dimethyl-phenyl)-[1,3,5]triazinane-2-thione::cid_950930::SMR000434620::5-[2-(cyclohexen-1-yl)ethyl]-1-(2,5-dimethylphenyl)-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 7732 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96720 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96720&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 950930 164037964 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210813 Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22) MGHZFAKRAMXRBC-UHFFFAOYSA-N 96721 cid_751676::SMR000434626::MLS000769893::1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione::5-Phenethyl-1-p-tolyl-[1,3,5]triazinane-2-thione::5-phenethyl-1-(p-tolyl)-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 7741 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96721 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96721&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 751676 164037965 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210814 COc1cccc(c1)N1CN(CCc2ccccc2)CNC1=S InChI=1S/C18H21N3OS/c1-22-17-9-5-8-16(12-17)21-14-20(13-19-18(21)23)11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,19,23) JRQWPSDRRXDASL-UHFFFAOYSA-N 96722 MLS000769864::1-(3-methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione::cid_751698::SMR000434597::1-(3-Methoxy-phenyl)-5-phenethyl-[1,3,5]triazinane-2-thione::1-(3-methoxyphenyl)-5-phenethyl-1,3,5-triazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 3524 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96722 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96722&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 751698 164037966 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210815 O=C(\C=C\C(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 InChI=1S/C22H22N2O2/c25-21(23-13-11-17-5-1-3-7-19(17)15-23)9-10-22(26)24-14-12-18-6-2-4-8-20(18)16-24/h1-10H,11-16H2 CYOKMVNEKBJUHR-UHFFFAOYSA-N 96723 cid_5357791::(E)-1,4-bis(3,4-dihydro-1H-isoquinolin-2-yl)-2-butene-1,4-dione::MLS000737156::SMR000528395::(E)-1,4-bis(3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione Trace amine-associated receptor 1 Homo sapiens 4668 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96723 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96723&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5357791 164037967 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210816 [#7]\[#6](-[#7])=[#7]\c1cc2ccccc2c2ccccc12 InChI=1S/C15H9N3/c16-15(17)18-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H LHDSNXRVLUNOIV-UHFFFAOYSA-N 96724 Guanidine, 1-(9-phenanthryl)-::SMR000529028::cid_344197::MLS000757169::2-phenanthren-9-ylguanidine::2-(9-phenanthrenyl)guanidine::2-(9-phenanthryl)guanidine Trace amine-associated receptor 1 Homo sapiens 933 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96724 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96724&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 344197 164037968 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210817 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:4.3| InChI=1S/C8H3Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-3H ASMAFSDTDIBMNU-UHFFFAOYSA-N 96725 Guanabenz::2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine::cid_5702063::SMR000528313::MLS000736759::2-[(E)-[2,6-bis(chloranyl)phenyl]methylideneamino]guanidine::2-[(E)-(2,6-dichlorobenzylidene)amino]guanidine Trace amine-associated receptor 1 Homo sapiens 1173 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96725 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96725&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5702063 164037969 DB00629 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210818 NCc1c(O)ccc2ccccc12 InChI=1S/C11H11NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,13H,7,12H2 KAGRCSIJBVBXLY-UHFFFAOYSA-N 96726 cid_241200::1-(aminomethyl)-2-naphthalenol::1-(aminomethyl)naphthalen-2-ol::SMR000528229::MLS000736640::1-(aminomethyl)-2-naphthol Trace amine-associated receptor 1 Homo sapiens 463.28 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96726 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96726&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 241200 164037970 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210819 C(Cn1nnnc1C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cccs1)c1ccccc1 InChI=1S/C26H28N6O2S/c1-2-5-20(6-3-1)10-11-32-26(27-28-29-32)25(24-7-4-16-35-24)31-14-12-30(13-15-31)18-21-8-9-22-23(17-21)34-19-33-22/h1-9,16-17,25H,10-15,18-19H2 YVSYLHWDHCXCTK-UHFFFAOYSA-N 96727 cid_6603028::SMR000005654::MLS000881257::1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine::1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]-thiophen-2-yl-methyl]piperazine;hydrochloride::1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine;hydrochloride::1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride::1-[(1-phenethyltetrazol-5-yl)-(2-thienyl)methyl]-4-piperonyl-piperazine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 2194 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96727 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96727&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 651919 164037971 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210820 COc1cc(ccc1O)C(N1CCc2ccccc2C1)c1nnnn1C1CCCC1 InChI=1S/C23H27N5O2/c1-30-21-14-17(10-11-20(21)29)22(23-24-25-26-28(23)19-8-4-5-9-19)27-13-12-16-6-2-3-7-18(16)15-27/h2-3,6-7,10-11,14,19,22,29H,4-5,8-9,12-13,15H2,1H3 ZLKIBTOQISIPFV-UHFFFAOYSA-N 50001 SMR000004472::4-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methyl]-2-methoxy-phenol::4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol;hydrochloride::4-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxy-phenol;hydrochloride::cid_6603103::MLS000072281::4-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol;hydrochloride::4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxy-phenol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1331 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 652639 252630275 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210821 COCCn1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)c(OC)c1 InChI=1S/C21H25N5O3/c1-28-12-11-26-21(22-23-24-26)20(16-7-8-18(27)19(13-16)29-2)25-10-9-15-5-3-4-6-17(15)14-25/h3-8,13,20,27H,9-12,14H2,1-2H3 WZLUAEIXQLABNE-UHFFFAOYSA-N 49998 4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methoxy-phenol;hydrochloride::SMR000004473::4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2-methoxyphenol;hydrochloride::4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2-methoxyphenol;hydrochloride::MLS000031093::4-{(3,4-Dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-2-methoxy-phenol::cid_6603425::4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2-methoxy-phenol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 3745 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49998 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49998&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 647897 252630272 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210822 COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1 InChI=1S/C26H30N6O3/c1-34-22-10-9-20-14-21(26(33)27-24(20)15-22)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33) ISLCRROONXJVSC-UHFFFAOYSA-N 96728 SMR000003216::7-methoxy-3-[[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one::MLS000880403::7-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one::7-Methoxy-3-({phenethyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-1H-quinolin-2-one::7-methoxy-3-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one::cid_650715::7-methoxy-3-[[phenethyl-[[1-(tetrahydrofurfuryl)tetrazol-5-yl]methyl]amino]methyl]carbostyril Trace amine-associated receptor 1 Homo sapiens 8826 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96728 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96728&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 650715 164037972 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210823 COc1cc(CN2CCc3ccccc3C2)ccc1O InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3 BENCJXKELSLPQJ-UHFFFAOYSA-N 66643 SMR000414107::MLS000777768::cid_764835::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxy-phenol Trace amine-associated receptor 1 Homo sapiens 11950 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66643 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66643&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 764835 252644964 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210824 O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1 InChI=1S/C17H15N5O2S/c23-14(18-12-7-3-1-4-8-12)11-15-21-22-17(25-15)20-16(24)19-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,23)(H2,19,20,22,24) SXTUXOGXWDDQNV-UHFFFAOYSA-N 96729 MLS000768103::N-Phenyl-2-[5-(3-phenyl-ureido)-[1,3,4]thiadiazol-2-yl]-acetamide::cid_1873525::2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide::SMR000431423::N-phenyl-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]ethanamide::N-phenyl-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide Trace amine-associated receptor 1 Homo sapiens >1108 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96729 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96729&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1873525 164037973 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210825 Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1 InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20) GGZKBXVGDIISFQ-UHFFFAOYSA-N 46203 1-[2,6-bis(chloranyl)phenyl]-3-(2-phenylethyl)thiourea::1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea::cid_2826665::MLS-0307023.0001::1-(2,6-dichlorophenyl)-3-phenethyl-thiourea Trace amine-associated receptor 1 Homo sapiens 4113 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=46203 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=46203&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2826665 252626773 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210826 O=C(Nc1ccno1)Nc1ccccc1 InChI=1S/C10H9N3O2/c14-10(13-9-6-7-11-15-9)12-8-4-2-1-3-5-8/h1-7H,(H2,12,13,14) VJPYKJWBSKLGCW-UHFFFAOYSA-N 96730 N-isoxazol-5-yl-N'-phenylurea::MLS000834912::1-(1,2-oxazol-5-yl)-3-phenylurea::SMR000461428::1-(1,2-oxazol-5-yl)-3-phenyl-urea::1-(5-isoxazolyl)-3-phenylurea::cid_2744683::1-isoxazol-5-yl-3-phenyl-urea Trace amine-associated receptor 1 Homo sapiens 4629 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96730 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96730&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2744683 164037974 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210827 Clc1ccc(cc1)C(=O)NCCc1cccs1 InChI=1S/C13H12ClNOS/c14-11-5-3-10(4-6-11)13(16)15-8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16) ITMBTJQIAIYUHZ-UHFFFAOYSA-N 96731 cid_2732263::MLS000861809::4-chloranyl-N-(2-thiophen-2-ylethyl)benzamide::4-chloro-N-(2-thiophen-2-ylethyl)benzamide::SMR000460593::4-chloro-N-[2-(2-thienyl)ethyl]benzamide Trace amine-associated receptor 1 Homo sapiens 3484 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96731 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96731&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2732263 164037975 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210828 COc1ccc(OC(=O)NCCc2ccccc2)cc1 InChI=1S/C16H17NO3/c1-19-14-7-9-15(10-8-14)20-16(18)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18) UVMZWARHNSFSHK-UHFFFAOYSA-N 96732 SMR000457399::cid_2802350::(4-methoxyphenyl) N-(2-phenylethyl)carbamate::4-methoxyphenyl N-phenethylcarbamate::MLS000851156::N-(2-phenylethyl)carbamic acid (4-methoxyphenyl) ester::N-phenethylcarbamic acid (4-methoxyphenyl) ester Trace amine-associated receptor 1 Homo sapiens >29879 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96732 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96732&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2802350 164037976 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210829 Clc1ccc(OC(=O)NCCc2ccccc2)cc1 InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)19-15(18)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18) FUPQGUPBGVPQNP-UHFFFAOYSA-N 96733 (4-chlorophenyl) N-(2-phenylethyl)carbamate::4-chlorophenyl N-phenethylcarbamate::SMR000457398::MLS000851155::cid_2802347::N-(2-phenylethyl)carbamic acid (4-chlorophenyl) ester::N-phenethylcarbamic acid (4-chlorophenyl) ester Trace amine-associated receptor 1 Homo sapiens 57636 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96733 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96733&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2802347 164037977 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210830 OC(=O)\C=C\C(=O)NCCc1ccc(Cl)cc1 InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17) ASNQTQOSQYVBIA-UHFFFAOYSA-N 50136837 CHEMBL154103::cid_6148558::(E)-3-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-acrylic acid Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136837 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136837&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6148558 104027041 CHEMBL154103 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210831 OC(CNC(=O)c1ccccc1C(O)=O)c1ccccc1 InChI=1S/C16H15NO4/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(20)21/h1-9,14,18H,10H2,(H,17,19)(H,20,21) XQMGZUDXRUQXII-UHFFFAOYSA-N 96734 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid::2-[[(2-hydroxy-2-phenylethyl)amino]-oxomethyl]benzoic acid::2-[(2-oxidanyl-2-phenyl-ethyl)carbamoyl]benzoic acid::SMR000456296::MLS000850278::cid_2812763::2-{[(2-hydroxy-2-phenylethyl)amino]carbonyl}benzoic acid::2-[(2-hydroxy-2-phenyl-ethyl)carbamoyl]benzoic acid Trace amine-associated receptor 1 Homo sapiens >29928 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96734 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96734&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2812763 164037978 C06374 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210832 OC(=O)\C=C\C(=O)NCc1csc2ccccc12 InChI=1S/C13H11NO3S/c15-12(5-6-13(16)17)14-7-9-8-18-11-4-2-1-3-10(9)11/h1-6,8H,7H2,(H,14,15)(H,16,17) ZMEMYPKYYAXSJG-UHFFFAOYSA-N 96735 4-[(benzo[b]thiophen-3-ylmethyl)amino]-4-oxobut-2-enoic acid::SMR000456827::MLS000850810::(E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxobut-2-enoic acid::cid_6156965::(E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxidanylidene-but-2-enoic acid::(E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxo-2-butenoic acid::(E)-4-(benzothiophen-3-ylmethylamino)-4-keto-but-2-enoic acid Trace amine-associated receptor 1 Homo sapiens 25880 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96735 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96735&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6156965 164037979 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210833 Fc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1 InChI=1S/C20H13ClFN5O2/c21-12-1-7-16-17(9-12)24-11-25-19(16)29-18-8-6-15(10-23-18)27-20(28)26-14-4-2-13(22)3-5-14/h1-11H,(H2,26,27,28) MAMANNFYDVVKIW-UHFFFAOYSA-N 96736 MLS000860602::SMR000458686::cid_2814119::N-{6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-N'-(4-fluorophenyl)urea::1-[6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)urea::1-[6-(7-chloranylquinazolin-4-yl)oxypyridin-3-yl]-3-(4-fluorophenyl)urea::1-[6-(7-chloroquinazolin-4-yl)oxypyridin-3-yl]-3-(4-fluorophenyl)urea::1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridyl]-3-(4-fluorophenyl)urea Trace amine-associated receptor 1 Homo sapiens 372.87 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96736 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96736&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2814119 164037980 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210834 CN1C(CC2Cn3c(nc4cc(C)c(C)cc34)C12)C(=O)NCCc1cccs1 InChI=1S/C22H26N4OS/c1-13-9-17-18(10-14(13)2)26-12-15-11-19(25(3)20(15)21(26)24-17)22(27)23-7-6-16-5-4-8-28-16/h4-5,8-10,15,19-20H,6-7,11-12H2,1-3H3,(H,23,27) GZZDLQKHHGJFCA-UHFFFAOYSA-N 96737 SMR000463810::MLS000877518::cid_16746008 Trace amine-associated receptor 1 Homo sapiens 8499 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96737 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96737&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16746008 164037981 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210835 CN1C(CC2Cn3c(nc4ccccc34)C12)C(=O)NCCc1cccs1 InChI=1S/C20H22N4OS/c1-23-17(20(25)21-9-8-14-5-4-10-26-14)11-13-12-24-16-7-3-2-6-15(16)22-19(24)18(13)23/h2-7,10,13,17-18H,8-9,11-12H2,1H3,(H,21,25) OVICWRANQXMJNG-UHFFFAOYSA-N 96738 MLS000877491::SMR000463783::cid_16746098 Trace amine-associated receptor 1 Homo sapiens 12146 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96738 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96738&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16746098 164037982 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210836 NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2F)c(c1)[N+]([O-])=O InChI=1S/C25H24ClFN4O4/c26-19-8-5-16(6-9-19)13-25(33)30-22(15-24(28)32)18-7-10-21(23(14-18)31(34)35)29-12-11-17-3-1-2-4-20(17)27/h1-10,14,22,29H,11-13,15H2,(H2,28,32)(H,30,33) KHMNCBCKCFATAN-UHFFFAOYSA-N 96739 MLS000420311::3-[2-(4-chlorophenyl)ethanoylamino]-3-[4-[2-(2-fluorophenyl)ethylamino]-3-nitro-phenyl]propanamide::3-[[2-(4-chlorophenyl)acetyl]amino]-3-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]propanamide::SMR000463258::cid_16746161::3-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-3-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]propanamide::3-[[2-(4-chlorophenyl)acetyl]amino]-3-[4-[2-(2-fluorophenyl)ethylamino]-3-nitro-phenyl]propionamide Trace amine-associated receptor 1 Homo sapiens 15678 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96739 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96739&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16746161 164037983 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210837 Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2 GHWJEDJMOVUXEC-UHFFFAOYSA-N 86282 NSC_1218::cid_11957706::6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide::CAS_1218::CHEMBL553503::SKF 81297 Trace amine-associated receptor 1 Homo sapiens >29913 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86282 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86282&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1218 136352382 CHEMBL553503 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210838 CCCC[C@@H]1CNCCN1CCc1cccc2ccccc12 InChI=1S/C20H28N2/c1-2-3-10-19-16-21-13-15-22(19)14-12-18-9-6-8-17-7-4-5-11-20(17)18/h4-9,11,19,21H,2-3,10,12-16H2,1H3 JJSOBWTWTRCBJL-UHFFFAOYSA-N 96740 cid_23641152::MLS000911738::(2R)-2-butyl-1-(2-naphthalen-1-ylethyl)piperazine::SMR000471518::(2R)-2-butyl-1-[2-(1-naphthalenyl)ethyl]piperazine::(2R)-2-butyl-1-[2-(1-naphthyl)ethyl]piperazine Trace amine-associated receptor 1 Homo sapiens 3522 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96740 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96740&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 23641152 164037984 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210839 COc1cccc(OC)c1C(=O)NCCc1ccccc1 InChI=1S/C17H19NO3/c1-20-14-9-6-10-15(21-2)16(14)17(19)18-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19) YISMITNRIGMMMD-UHFFFAOYSA-N 96741 SMR000472961::MLS001077178::2,6-dimethoxy-N-(2-phenylethyl)benzamide::cid_597015::2,6-dimethoxy-N-phenethyl-benzamide Trace amine-associated receptor 1 Homo sapiens 9598 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96741 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96741&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 597015 164037985 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210840 Brc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1 InChI=1S/C19H19BrN2O3/c20-15-7-3-14(4-8-15)19(24)22-16-9-5-13(6-10-16)18(23)21-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24) LDJDUPYUAUBCRL-UHFFFAOYSA-N 96742 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide::4-bromo-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide::4-[[(4-bromophenyl)-oxomethyl]amino]-N-(2-oxolanylmethyl)benzamide::MLS001180792::SMR000476591::4-[(4-bromophenyl)carbonylamino]-N-(oxolan-2-ylmethyl)benzamide::cid_3697211::4-[(4-bromobenzoyl)amino]-N-(tetrahydrofurfuryl)benzamide Trace amine-associated receptor 1 Homo sapiens >29896 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96742 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96742&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3697211 164037986 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210841 CC1CNCc2c1oc1ccccc21 InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3 XIQGIXNRHOALAD-UHFFFAOYSA-N 96743 4-methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine::MLS001180715::4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine;hydrochloride::SMR000476894::cid_12499516::4-methyl-1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 133.06 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96743 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96743&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4127040 164037987 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210842 Clc1ccc(OCCNCCc2ccccc2)cc1 InChI=1S/C16H18ClNO/c17-15-6-8-16(9-7-15)19-13-12-18-11-10-14-4-2-1-3-5-14/h1-9,18H,10-13H2 IHDIKQRKAVOCBM-UHFFFAOYSA-N 96744 MLS000974917::[2-(4-chlorophenoxy)ethyl](2-phenylethyl)amine oxalate::cid_2936042::SMR000497617::N-[2-(4-chloranylphenoxy)ethyl]-2-phenyl-ethanamine;ethanedioic acid::N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid::2-(4-chlorophenoxy)ethyl-phenethyl-amine;oxalic acid Trace amine-associated receptor 1 Homo sapiens 9591 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96744 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96744&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2184768 164037988 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210843 NC(N=NCc1ccc(F)cc1)=NN=Cc1ccc(F)cc1 |w:3.3,13.13,1.0| InChI=1S/C15H13F2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-9H,10H2,(H2,18,21) AVKUIPNSPKDITB-UHFFFAOYSA-N 96745 MLS000974588::1,2-bis[(Z)-(4-fluorophenyl)methylideneamino]guanidine;hydrochloride::cid_5344776::SMR000496816::N',2-bis(4-fluorobenzylidene)hydrazinecarboximidohydrazide hydrochloride::1,2-bis[(Z)-(4-fluorobenzylidene)amino]guanidine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 4896 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96745 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96745&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899616 164037989 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210844 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)NCCc1ccccc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2| 96746 SMR000499205::2-(2-phenylethylcarbamoyl)bicyclo[2.2.1]heptane-3-carboxylic acid::MLS001000987::3-{[(2-phenylethyl)amino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid::2-[oxo-(2-phenylethylamino)methyl]-3-bicyclo[2.2.1]heptanecarboxylic acid::cid_6468911::3-(phenethylcarbamoyl)norbornane-2-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 11049 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96746 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96746&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6468911 164037990 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210845 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)NCCc1ccc(F)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2| 75133 2-[2-(4-fluorophenyl)ethylcarbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid::2-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-3-bicyclo[2.2.1]heptanecarboxylic acid::3-({[2-(4-fluorophenyl)ethyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid::cid_6469486::MLS001001744::SMR000499235::3-[2-(4-fluorophenyl)ethylcarbamoyl]norbornane-2-carboxylic acid Trace amine-associated receptor 1 Homo sapiens >29884 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75133 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75133&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6469486 252652350 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210846 Cc1c(Cl)cccc1Nc1nc(NCCO)c2ccccc2n1 InChI=1S/C17H17ClN4O/c1-11-13(18)6-4-8-14(11)20-17-21-15-7-3-2-5-12(15)16(22-17)19-9-10-23/h2-8,23H,9-10H2,1H3,(H2,19,20,21,22) MGQUKWLCGBUCQF-UHFFFAOYSA-N 96747 MLS001001903::2-({2-[(3-chloro-2-methylphenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride::2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]quinazolin-4-yl]amino]ethanol;hydrochloride::2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride::2-[[2-(3-chloro-2-methylanilino)-4-quinazolinyl]amino]ethanol;hydrochloride::SMR000498367::cid_2976153::2-[[2-(3-chloro-2-methyl-anilino)quinazolin-4-yl]amino]ethanol;hydrochloride Trace amine-associated receptor 1 Homo sapiens 6835 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96747 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96747&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2231358 164037991 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210847 Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1C InChI=1S/C16H16N4/c1-10-7-8-12(9-11(10)2)18-16-19-14-6-4-3-5-13(14)15(17)20-16/h3-9H,1-2H3,(H3,17,18,19,20) GFYAAHIOXINEOX-UHFFFAOYSA-N 96748 MLS001001860::2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride::SMR000498358::N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride::cid_2975866::N2-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride::(4-aminoquinazolin-2-yl)-(3,4-dimethylphenyl)amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 8339 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96748 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96748&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2230320 164037992 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210848 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)NCCc1cccc(Cl)c1 |TLB:12:7:6:3.2,THB:9:8:6:3.2| 96749 2-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]-3-bicyclo[2.2.1]heptanecarboxylic acid::cid_6469989::SMR000499264::MLS001001822::3-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid::2-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid::3-[2-(3-chlorophenyl)ethylcarbamoyl]norbornane-2-carboxylic acid Trace amine-associated receptor 1 Homo sapiens >29889 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96749 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96749&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6469989 164037993 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210849 COc1ccccc1CC(=O)NCCc1ccccc1 InChI=1S/C17H19NO2/c1-20-16-10-6-5-9-15(16)13-17(19)18-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19) CXBWJDPCOPPWKT-UHFFFAOYSA-N 96750 2-(2-methoxyphenyl)-N-(2-phenylethyl)acetamide::2-(2-methoxyphenyl)-N-(2-phenylethyl)ethanamide::MLS001184053::SMR000502867::cid_3563178::2-(2-methoxyphenyl)-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 8996 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96750 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96750&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3563178 164037994 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210850 CN(CCc1ccccc1)Cc1c[nH]c2ccccc12 InChI=1S/C18H20N2/c1-20(12-11-15-7-3-2-4-8-15)14-16-13-19-18-10-6-5-9-17(16)18/h2-10,13,19H,11-12,14H2,1H3 FXOVIBPIVLJUBH-UHFFFAOYSA-N 96751 cid_6456344::SMR000502254::N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid::ethanedioic acid;N-(1H-indol-3-ylmethyl)-N-methyl-2-phenyl-ethanamine::MLS001181066::1H-indol-3-ylmethyl-methyl-phenethyl-amine;oxalic acid Trace amine-associated receptor 1 Homo sapiens 13173 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96751 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96751&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5124934 164037995 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210851 Cc1cc(=O)[nH]c(Nc2cccc(F)c2)n1 InChI=1S/C11H10FN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16) YHDOLNHAZZQLGN-UHFFFAOYSA-N 96752 SMR000498159::cid_734782::MLS000974387::2-[(3-fluorophenyl)amino]-6-methyl-4(3H)-pyrimidinone::2-[(3-fluorophenyl)amino]-6-methyl-1H-pyrimidin-4-one::2-(3-fluoroanilino)-6-methyl-1H-pyrimidin-4-one Trace amine-associated receptor 1 Homo sapiens >29905 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96752 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96752&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 734782 164037996 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210852 COc1cc(CN2CCc3ccccc3C2)cc(c1O)[N+]([O-])=O InChI=1S/C17H18N2O4/c1-23-16-9-12(8-15(17(16)20)19(21)22)10-18-7-6-13-4-2-3-5-14(13)11-18/h2-5,8-9,20H,6-7,10-11H2,1H3 VKHKAJWKEDGEPV-UHFFFAOYSA-N 96753 4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-2-methoxy-6-nitrophenol::cid_1377226::MLS001000561::SMR000496033::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxy-6-nitrophenol::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxy-6-nitro-phenol Trace amine-associated receptor 1 Homo sapiens 6769 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96753 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96753&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1377226 164037997 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210853 Fc1cccc(NC(=O)Nc2cccnc2)c1 InChI=1S/C12H10FN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17) WFOGJKJRUKGBDO-UHFFFAOYSA-N 65923 MLS001201441::1-(3-fluorophenyl)-3-pyridin-3-ylurea::SMR000517146::1-(3-fluorophenyl)-3-(3-pyridinyl)urea::1-(3-fluorophenyl)-3-pyridin-3-yl-urea::cid_853873::1-(3-Fluoro-phenyl)-3-pyridin-3-yl-urea::1-(3-fluorophenyl)-3-(3-pyridyl)urea Trace amine-associated receptor 1 Homo sapiens 5050 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=65923 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=65923&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 853873 252644258 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210854 COc1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C18H19NO3/c1-21-16-6-8-17(9-7-16)22-13-18(20)19-11-10-14-4-2-3-5-15(14)12-19/h2-9H,10-13H2,1H3 INGCAHSUTAHMDK-UHFFFAOYSA-N 96754 SMR000517882::MLS001201417::cid_1139755::1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-phenoxy)-ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenoxy)ethanone Trace amine-associated receptor 1 Homo sapiens 10546 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96754 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96754&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1139755 164037998 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210855 Cc1cccc(CCNCc2cc3ccc(C)cc3[nH]c2=O)c1 InChI=1S/C20H22N2O/c1-14-4-3-5-16(10-14)8-9-21-13-18-12-17-7-6-15(2)11-19(17)22-20(18)23/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,23) JEFYXWZCQQBXPH-UHFFFAOYSA-N 96755 SMR000503418::MLS001209118::7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one::7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one::cid_3176403::7-methyl-3-[[2-(m-tolyl)ethylamino]methyl]carbostyril Trace amine-associated receptor 1 Homo sapiens 7791 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96755 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96755&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3176403 164037999 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210856 [O-][N+](=O)c1cn(CC(=O)NCCc2ccccc2)cn1 InChI=1S/C13H14N4O3/c18-13(9-16-8-12(15-10-16)17(19)20)14-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,14,18) FCQYHAXUZPPFGW-UHFFFAOYSA-N 96756 2-(4-nitroimidazol-1-yl)-N-(2-phenylethyl)acetamide::SMR000513800::2-(4-nitroimidazol-1-yl)-N-(2-phenylethyl)ethanamide::cid_1099826::MLS001206823::2-(4-Nitro-imidazol-1-yl)-N-phenethyl-acetamide::2-(4-nitro-1-imidazolyl)-N-(2-phenylethyl)acetamide::2-(4-nitroimidazol-1-yl)-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 15314 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96756 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96756&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1099826 164038000 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210857 Cc1ccc2cc(CNCCc3ccccc3C)c(=O)[nH]c2c1 InChI=1S/C20H22N2O/c1-14-7-8-17-12-18(20(23)22-19(17)11-14)13-21-10-9-16-6-4-3-5-15(16)2/h3-8,11-12,21H,9-10,13H2,1-2H3,(H,22,23) DWMSTYVLROMHGO-UHFFFAOYSA-N 96757 SMR000503416::cid_3176400::7-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one::7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one::MLS001207366::7-methyl-3-[[2-(o-tolyl)ethylamino]methyl]carbostyril Trace amine-associated receptor 1 Homo sapiens 3539 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96757 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96757&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3176400 164038001 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210858 Cc1cc(N=NCc2ccccc2O)c2ccccc2n1 |w:4.3| InChI=1S/C17H15N3O/c1-12-10-16(14-7-3-4-8-15(14)19-12)20-18-11-13-6-2-5-9-17(13)21/h2-10,21H,11H2,1H3 QYYRMRSNZXIOSZ-UHFFFAOYSA-N 96758 MLS001207574::(6E)-6-[[2-(2-methylquinolin-4-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::cid_5766522::(6E)-6-[[(2-methyl-4-quinolinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone::SMR000517658::2-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-phenol::(6E)-6-[[N'-(2-methyl-4-quinolyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one Trace amine-associated receptor 1 Homo sapiens 11610 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96758 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96758&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899617 164038002 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210859 Cc1nc(NCCc2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1 InChI=1S/C20H19ClN6/c1-14-23-19(22-12-11-15-7-3-2-4-8-15)18-20(24-14)27(26-25-18)13-16-9-5-6-10-17(16)21/h2-10H,11-13H2,1H3,(H,22,23,24) YMSDXFWAUQDRNR-UHFFFAOYSA-N 96759 cid_24746876::MLS001205937::SMR000504690::3-[(2-chlorophenyl)methyl]-5-methyl-N-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine::3-[(2-chlorophenyl)methyl]-5-methyl-N-(2-phenylethyl)-7-triazolo[4,5-d]pyrimidinamine::3-[(2-chlorophenyl)methyl]-5-methyl-N-(2-phenylethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine::[3-(2-Chloro-benzyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-phenethyl-amine::[3-(2-chlorobenzyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-phenethyl-amine Trace amine-associated receptor 1 Homo sapiens 3514 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96759 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96759&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24746876 164038003 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210860 FC(F)(F)c1ccccc1NC(=O)CN1CCc2ccccc2C1 InChI=1S/C18H17F3N2O/c19-18(20,21)15-7-3-4-8-16(15)22-17(24)12-23-10-9-13-5-1-2-6-14(13)11-23/h1-8H,9-12H2,(H,22,24) YSFXRRUGJGSIOZ-UHFFFAOYSA-N 96760 SMR000504707::2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]ethanamide;ethanedioic acid::cid_24746935::2-(3,4-Dihydro-1H-isoquinolin-2-yl)-N-(2-trifluoromethyl-phenyl)-acetamide::MLS001204090::2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid Trace amine-associated receptor 1 Homo sapiens 11055 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96760 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96760&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2989364 164038004 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210861 Cc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 InChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24) VHNIDWJMVLSOSW-UHFFFAOYSA-N 96761 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one::cid_3176405::SMR000503420::MLS001204884::6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one::6,8-dimethyl-3-[[2-(m-tolyl)ethylamino]methyl]carbostyril Trace amine-associated receptor 1 Homo sapiens 1843 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96761 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96761&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3176405 164038005 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210862 Fc1ccc(cc1)S(=O)(=O)NCCc1ccccc1 InChI=1S/C14H14FNO2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2 SKVWFMKLQAHDBO-UHFFFAOYSA-N 96762 cid_668799::MLS001212512::4-fluoranyl-N-(2-phenylethyl)benzenesulfonamide::4-fluoro-N-(2-phenylethyl)benzenesulfonamide::SMR000516695::4-fluoro-N-phenethyl-benzenesulfonamide Trace amine-associated receptor 1 Homo sapiens 4223 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96762 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96762&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 668799 164038006 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210863 COc1ccc(CNCCc2ccccc2F)c(OC)c1C InChI=1S/C18H22FNO2/c1-13-17(21-2)9-8-15(18(13)22-3)12-20-11-10-14-6-4-5-7-16(14)19/h4-9,20H,10-12H2,1-3H3 WUEUITYGIMFDKP-UHFFFAOYSA-N 96763 cid_2852287::N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-2-(2-fluorophenyl)ethanamine;ethanedioic acid::(2,4-Dimethoxy-3-methyl-benzyl)-[2-(2-fluoro-phenyl)-ethyl]-amine::SMR000516123::MLS001210455::N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-fluorophenyl)ethanamine;oxalic acid::(2,4-dimethoxy-3-methyl-benzyl)-[2-(2-fluorophenyl)ethyl]amine;oxalic acid Trace amine-associated receptor 1 Homo sapiens 3459 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96763&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2163776 164038007 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210864 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC(O)C(F)(F)F)CC1 InChI=1S/C18H22F3N3O2/c1-26-14-4-2-12(3-5-14)15-10-16(23-22-15)13-6-8-24(9-7-13)11-17(25)18(19,20)21/h2-5,10,13,17,25H,6-9,11H2,1H3,(H,22,23) ZTAUBGGJLHMORZ-UHFFFAOYSA-N 96764 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol::1,1,1-tris(fluoranyl)-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol::SMR000550356::1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-propanol::1,1,1-trifluoro-3-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidino}-2-propanol::cid_3578707::MLS001166056::1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidino]propan-2-ol Trace amine-associated receptor 1 Homo sapiens 7596 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96764 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96764&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3578707 164038008 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210865 Clc1ccc(CCNCc2ccncc2)c(Cl)c1 InChI=1S/C14H14Cl2N2/c15-13-2-1-12(14(16)9-13)5-8-18-10-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2 UYPUCXYEVMBBJL-UHFFFAOYSA-N 96765 MLS001205293::[2-(2,4-Dichloro-phenyl)-ethyl]-pyridin-4-ylmethyl-amine::2-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine;ethanedioic acid::cid_17367917::2-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid::SMR000516153::2-(2,4-dichlorophenyl)ethyl-(4-pyridylmethyl)amine;oxalic acid Trace amine-associated receptor 1 Homo sapiens 6772 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96765 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96765&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2053862 164038009 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210866 Clc1cccc2c3CNCCc3[nH]c12 InChI=1S/C11H11ClN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13-14H,4-6H2 OJMGBOSUTDWVFZ-UHFFFAOYSA-N 96766 6-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole::6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride::MLS001208377::SMR000524681::cid_24761095::6-chloranyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride::6-chloro-2,3,4,5-tetrahydro-1H-pyrid[4,3-b]indole;hydrochloride Trace amine-associated receptor 1 Homo sapiens 22128 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96766 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96766&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6484119 164038010 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210867 C1Cc2ccccc2C(CN1)c1ccccc1 InChI=1S/C16H17N/c1-2-6-13(7-3-1)16-12-17-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2 MEXPXLPUVFBQGJ-UHFFFAOYSA-N 96767 SMR000555738::1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine::MLS001196948::cid_2870942::5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 3356 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96767 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96767&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2870943 164038011 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210868 Oc1ccc(C=NCCc2ccccc2)cc1 |w:6.6| InChI=1S/C15H15NO/c17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2 QPPNIQMNSLTBNG-UHFFFAOYSA-N 96768 cid_5331221::4-[(2-phenylethylamino)methylidene]-1-cyclohexa-2,5-dienone::SMR000559065::MLS001198463::4-{(E)-[(2-phenylethyl)imino]methyl}phenol::4-[(2-phenylethylamino)methylidene]cyclohexa-2,5-dien-1-one::4-[(phenethylamino)methylene]cyclohexa-2,5-dien-1-one Trace amine-associated receptor 1 Homo sapiens 226.33 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96768 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96768&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5331221 164038012 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210869 Cc1c(CNCCc2ccccc2)c(C(O)=O)c(C)n1-c1ccccc1 InChI=1S/C22H24N2O2/c1-16-20(15-23-14-13-18-9-5-3-6-10-18)21(22(25)26)17(2)24(16)19-11-7-4-8-12-19/h3-12,23H,13-15H2,1-2H3,(H,25,26) PRPNEKPFNNNJHG-UHFFFAOYSA-N 72896 MLS001201306::2,5-dimethyl-1-phenyl-4-[(2-phenylethylamino)methyl]-3-pyrrolecarboxylic acid::2,5-dimethyl-1-phenyl-4-[(2-phenylethylamino)methyl]pyrrole-3-carboxylic acid::SMR000564020::cid_20958059::2,5-dimethyl-1-phenyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid::2,5-dimethyl-4-[(phenethylamino)methyl]-1-phenyl-pyrrole-3-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 8167 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=72896 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=72896&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 20958059 252650147 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210870 CCOc1ccc(\C=N\CC(O)c2ccccc2)cc1 InChI=1S/C17H19NO2/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15/h3-12,17,19H,2,13H2,1H3 ZXVQWFPLZLWDBX-UHFFFAOYSA-N 96769 SMR000554613::MLS001194972::2-[(4-ethoxyphenyl)methylideneamino]-1-phenyl-ethanol::2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol::cid_3881447::2-{[(1E)-(4-ethoxyphenyl)methylene]amino}-1-phenylethanol::2-[(4-ethoxybenzylidene)amino]-1-phenyl-ethanol Trace amine-associated receptor 1 Homo sapiens 3266 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96769 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96769&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3881447 164038013 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210871 OC(COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCCC(C1)C(F)(F)F InChI=1S/C22H24F5NO2/c23-18-7-3-15(4-8-18)21(16-5-9-19(24)10-6-16)30-14-20(29)13-28-11-1-2-17(12-28)22(25,26)27/h3-10,17,20-21,29H,1-2,11-14H2 NLQXWOAIDVRQDA-UHFFFAOYSA-N 96770 1-[bis(4-fluorophenyl)methoxy]-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol;ethanedioic acid::1-[bis(4-fluorophenyl)methoxy]-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol;oxalic acid::1-[bis(4-fluorophenyl)methoxy]-3-[3-(trifluoromethyl)-1-piperidinyl]-2-propanol;oxalic acid::MLS001175964::cid_16249105::SMR000588205::1-[bis(4-fluorophenyl)methoxy]-3-[3-(trifluoromethyl)piperidino]propan-2-ol;oxalic acid Trace amine-associated receptor 1 Homo sapiens 8463 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96770 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96770&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4851500 164038014 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210872 C(Cc1ccccc1)NC1CCCCCC1 InChI=1S/C15H23N/c1-2-7-11-15(10-6-1)16-13-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-13H2 BPURAXITHIRCRC-UHFFFAOYSA-N 96771 SMR000588096::cid_16248606::MLS001177999::oxalic acid;N-(2-phenylethyl)cycloheptanamine::ethanedioic acid;N-(2-phenylethyl)cycloheptanamine::cycloheptyl(phenethyl)amine;oxalic acid Trace amine-associated receptor 1 Homo sapiens 1721 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96771 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96771&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4792422 164038015 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210873 COc1ccccc1CCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(C)cc1 InChI=1S/C22H27N3O6S/c1-16-7-9-18(10-8-16)32(28,29)25-13-14-31-20(25)15-24-22(27)21(26)23-12-11-17-5-3-4-6-19(17)30-2/h3-10,20H,11-15H2,1-2H3,(H,23,26)(H,24,27) HLQSDXCMGSTKGO-UHFFFAOYSA-N 96772 cid_16825568::N-[2-(2-methoxyphenyl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]ethanediamide::N-[2-(2-methoxyphenyl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-2-oxazolidinyl]methyl]oxamide::SMR000641282::N-[2-(2-methoxyphenyl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide::MLS001166990::N-[2-(2-methoxyphenyl)ethyl]-N'-[(3-tosyloxazolidin-2-yl)methyl]oxamide Trace amine-associated receptor 1 Homo sapiens 7909 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96772 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96772&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16825568 164038016 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210874 CC(=O)c1cccc(OCC(O)CNCCc2ccc(Cl)cc2)c1 InChI=1S/C19H22ClNO3/c1-14(22)16-3-2-4-19(11-16)24-13-18(23)12-21-10-9-15-5-7-17(20)8-6-15/h2-8,11,18,21,23H,9-10,12-13H2,1H3 WEWPVKDSFKMDKN-UHFFFAOYSA-N 96773 MLS001171905::cid_4239634::1-[3-[3-[2-(4-chlorophenyl)ethylamino]-2-oxidanyl-propoxy]phenyl]ethanone::SMR000589294::1-[3-[3-[2-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone::1-[3-[3-[2-(4-chlorophenyl)ethylamino]-2-hydroxy-propoxy]phenyl]ethanone Trace amine-associated receptor 1 Homo sapiens 16856 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96773 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96773&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4239634 164038017 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210875 O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17| InChI=1S/C15H14N4O5/c20-11-3-1-9(5-13(11)22)7-16-18-15(24)19-17-8-10-2-4-12(21)14(23)6-10/h5-8H,1-4H2,(H2,18,19,24) QOLJYQJVLNEGJS-UHFFFAOYSA-N 53205 1,3-bis[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]urea::1,3-bis[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]urea::cid_24762014::1,3-bis[[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]urea::MLS001202140::N'',N'''-bis[(1E)-(3,4-dihydroxyphenyl)methylene]carbonohydrazide::SMR000565039::1,3-bis[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]urea Trace amine-associated receptor 1 Homo sapiens >9966 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=53205 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=53205&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91897108 252633337 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210876 CC(Nc1ccnc2cc(Cl)ccc12)c1ccc(cc1)S(N)(=O)=O InChI=1S/C17H16ClN3O2S/c1-11(12-2-5-14(6-3-12)24(19,22)23)21-16-8-9-20-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,20,21)(H2,19,22,23) IRUBGWZKUGVIQU-UHFFFAOYSA-N 96774 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide::4-[1-[(7-chloro-4-quinolinyl)amino]ethyl]benzenesulfonamide::MLS001233728::SMR000595175::cid_17390528::4-[1-[(7-chloranylquinolin-4-yl)amino]ethyl]benzenesulfonamide::4-[1-[(7-chloro-4-quinolyl)amino]ethyl]benzenesulfonamide Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96774 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96774&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 17390528 164038018 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210877 NS(=O)(=O)c1ccc(CCNC(=O)CNCCc2ccccc2)cc1 InChI=1S/C18H23N3O3S/c19-25(23,24)17-8-6-16(7-9-17)11-13-21-18(22)14-20-12-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2,(H,21,22)(H2,19,23,24) WMLSQYXUIUETQK-UHFFFAOYSA-N 96775 2-(2-phenylethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide::SMR000589251::2-(2-phenylethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide::MLS001172386::cid_2411489::2-(phenethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Trace amine-associated receptor 1 Homo sapiens 3563 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96775 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96775&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2411489 164038019 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210878 [O-][N+](=O)c1nc[nH]c1C=Cc1ccccc1 |w:8.8| InChI=1S/C11H9N3O2/c15-14(16)11-10(12-8-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13) QXGIKCKEMSLDCG-UHFFFAOYSA-N 96776 MLS001202059::4-nitro-5-[(E)-2-phenylethenyl]-1H-imidazole::SMR000393987::cid_5931360::4-nitro-5-[(E)-styryl]-1H-imidazole Trace amine-associated receptor 1 Homo sapiens 18131 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96776 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96776&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5931360 164038020 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210879 CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 InChI=1S/C15H15N3O2/c1-11(19)16-13-7-9-14(10-8-13)18-15(20)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,19)(H2,17,18,20) CDXOLTRKVPVLMP-UHFFFAOYSA-N 96777 SMR000567591::cid_763210::N-[4-[[anilino(oxo)methyl]amino]phenyl]acetamide::N-[4-(phenylcarbamoylamino)phenyl]ethanamide::MLS001181838::N-[4-(phenylcarbamoylamino)phenyl]acetamide Trace amine-associated receptor 1 Homo sapiens 22356 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96777 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96777&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 763210 164038021 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210880 COc1cc(ccc1OCC(O)CNCC(O)c1ccccc1)C(C)=O InChI=1S/C20H25NO5/c1-14(22)16-8-9-19(20(10-16)25-2)26-13-17(23)11-21-12-18(24)15-6-4-3-5-7-15/h3-10,17-18,21,23-24H,11-13H2,1-2H3 AFDOVFBOEGXHJE-UHFFFAOYSA-N 96778 ethanedioic acid;1-[3-methoxy-4-[2-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propoxy]phenyl]ethanone::1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone;oxalic acid::SMR000588077::MLS001171581::cid_16248356::1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]-3-methoxy-phenyl]ethanone;oxalic acid Trace amine-associated receptor 1 Homo sapiens 12279 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96778 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96778&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4851071 164038022 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210881 Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 TVURRHSHRRELCG-UHFFFAOYSA-N 60917 MLS001401388::9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid::9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid::FENOLDOPAM::FENOLDOPAM MESYLATE::SMR000469190::cid_49659::9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;mesylic acid Trace amine-associated receptor 1 Homo sapiens 8044 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60917 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60917&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3341 252640133 DB00800 C07693 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210882 CCc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1 InChI=1S/C22H23NO4S/c1-2-18-10-6-7-11-21(18)28(25,26)16-19-12-13-20(27-19)22(24)23-15-14-17-8-4-3-5-9-17/h3-13H,2,14-16H2,1H3,(H,23,24) BHKWCKMMNSPFJT-UHFFFAOYSA-N 96779 5-[(2-ethylphenyl)sulfonylmethyl]-N-(2-phenylethyl)furan-2-carboxamide::cid_6619424::MLS000913198::SMR000623131::5-[(2-ethylphenyl)sulfonylmethyl]-N-(2-phenylethyl)-2-furancarboxamide::5-[(2-ethylphenyl)sulfonylmethyl]-N-phenethyl-2-furamide Trace amine-associated receptor 1 Homo sapiens 6378 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96779 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96779&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6619424 164038023 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210883 Cc1oc(nc1CS(=O)(=O)CC(=O)NCCc1ccccc1)-c1ccccc1C InChI=1S/C22H24N2O4S/c1-16-8-6-7-11-19(16)22-24-20(17(2)28-22)14-29(26,27)15-21(25)23-13-12-18-9-4-3-5-10-18/h3-11H,12-15H2,1-2H3,(H,23,25) QBOLWLDGRPZLLW-UHFFFAOYSA-N 96780 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-phenylethyl)ethanamide::MLS000923936::2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-phenylethyl)acetamide::cid_16007794::SMR000623364::2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfonyl]-N-(2-phenylethyl)acetamide::2-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methylsulfonyl]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 8579 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96780 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96780&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16007794 164038024 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210884 Fc1ccccc1CCNC(=O)CC1N(CCCc2ccccc2)CCNC1=O InChI=1S/C23H28FN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29) BQYUKIZPKQZRBT-UHFFFAOYSA-N 96781 MLS001106103::cid_24791545::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxidanylidene-1-(3-phenylpropyl)piperazin-2-yl]ethanamide::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide::SMR000654923::N-[2-(2-fluorophenyl)ethyl]-2-[3-keto-1-(3-phenylpropyl)piperazin-2-yl]acetamide Trace amine-associated receptor 1 Homo sapiens 7168 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96781 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96781&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24791545 164038025 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210885 Cc1nn(C(=O)CCC(=O)NCCc2ccccc2)c2ccccc12 InChI=1S/C20H21N3O2/c1-15-17-9-5-6-10-18(17)23(22-15)20(25)12-11-19(24)21-14-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,24) PFASMPVXCADZCP-UHFFFAOYSA-N 96782 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide::4-(3-methylindazol-1-yl)-4-oxidanylidene-N-(2-phenylethyl)butanamide::4-(3-methyl-1-indazolyl)-4-oxo-N-(2-phenylethyl)butanamide::MLS001116047::SMR000625879::cid_22510249::4-keto-4-(3-methylindazol-1-yl)-N-phenethyl-butyramide Trace amine-associated receptor 1 Homo sapiens 10701 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96782 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96782&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 22510249 164038026 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210886 Fc1ccccc1C(=O)NCC(=O)N\N=C/C=C/c1ccccc1 InChI=1S/C18H16FN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23) YHVCVPVYYBRMTA-UHFFFAOYSA-N 96783 2-fluoranyl-N-[2-oxidanylidene-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide::SMR000658868::2-fluoro-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide::MLS001125537::cid_5654139::2-fluoro-N-[2-keto-2-[(N'Z)-N'-[(E)-3-phenylprop-2-enylidene]hydrazino]ethyl]benzamide Trace amine-associated receptor 1 Homo sapiens 9572 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96783 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96783&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5654139 164038027 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210887 Cc1ccn2c(c1)nc(O)c(C(=O)NCCC1=CCCCC1)c2=O |t:17| InChI=1S/C18H21N3O3/c1-12-8-10-21-14(11-12)20-17(23)15(18(21)24)16(22)19-9-7-13-5-3-2-4-6-13/h5,8,10-11,23H,2-4,6-7,9H2,1H3,(H,19,22) FLZNHVJQJKKVFP-UHFFFAOYSA-N 96784 SMR000624185::cid_20878831::MLS000925257::N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-4-oxidanyl-2-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxamide::N-[2-(1-cyclohexenyl)ethyl]-4-hydroxy-8-methyl-2-oxo-3-pyrido[1,2-a]pyrimidinecarboxamide::N-[2-(cyclohexen-1-yl)ethyl]-4-hydroxy-8-methyl-2-oxopyrido[1,2-a]pyrimidine-3-carboxamide::N-[2-(cyclohexen-1-yl)ethyl]-4-hydroxy-2-keto-8-methyl-pyrido[1,2-a]pyrimidine-3-carboxamide Trace amine-associated receptor 1 Homo sapiens >29922 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96784 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96784&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 20878831 164038028 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210888 Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O InChI=1S/C20H23FN4O2/c21-17-7-2-1-5-15(17)8-10-23-19(26)13-18-20(27)24-11-12-25(18)14-16-6-3-4-9-22-16/h1-7,9,18H,8,10-14H2,(H,23,26)(H,24,27) NMOAQENNBHVGCP-UHFFFAOYSA-N 96785 SMR000670077::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(2-pyridinylmethyl)-2-piperazinyl]acetamide::MLS001100781::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-2-yl]ethanamide::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide::cid_24793216::N-[2-(2-fluorophenyl)ethyl]-2-[3-keto-1-(2-pyridylmethyl)piperazin-2-yl]acetamide Trace amine-associated receptor 1 Homo sapiens 5229 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96785 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96785&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24793216 164038029 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210889 C1Cc2[nH]c3ccccc3c2CN1 InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2 RPROHCOBMVQVIV-UHFFFAOYSA-N 73071 cid_11572011::2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride::MLS001198355::SMR000559186::2,3,4,5-tetrahydro-1H-pyrid[4,3-b]indole;hydrochloride Trace amine-associated receptor 1 Homo sapiens 1772 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=73071 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=73071&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 723230 252650320 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210890 Cc1n(nc2c1c(C)nn(CC(=O)NCCc1ccccc1C)c2=O)-c1ccc(C)cc1 InChI=1S/C25H27N5O2/c1-16-9-11-21(12-10-16)30-19(4)23-18(3)27-29(25(32)24(23)28-30)15-22(31)26-14-13-20-8-6-5-7-17(20)2/h5-12H,13-15H2,1-4H3,(H,26,31) FZAJMGBPQZAIGL-UHFFFAOYSA-N 96786 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(2-methylphenyl)ethyl]ethanamide::2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]-N-[2-(2-methylphenyl)ethyl]acetamide::MLS001028786::2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(2-methylphenyl)ethyl]acetamide::cid_20919854::SMR000629824::2-[7-keto-3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(o-tolyl)ethyl]acetamide Trace amine-associated receptor 1 Homo sapiens 11491 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96786 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96786&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 20919854 164038030 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210891 Cc1oc(nc1CS(=O)(=O)CC(=O)NCCc1ccccc1)-c1ccccc1Cl InChI=1S/C21H21ClN2O4S/c1-15-19(24-21(28-15)17-9-5-6-10-18(17)22)13-29(26,27)14-20(25)23-12-11-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,25) IBXQMQDDPQVRJZ-UHFFFAOYSA-N 96787 2-[[2-(2-chlorophenyl)-5-methyl-4-oxazolyl]methylsulfonyl]-N-(2-phenylethyl)acetamide::2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-phenylethyl)ethanamide::cid_20876730::SMR000624101::MLS000925119::2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-phenylethyl)acetamide::2-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 8192 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96787 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96787&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 20876730 164038031 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210892 Cc1cc2NC(=O)COc2cc1S(=O)(=O)CCC(=O)NCCc1ccccc1 InChI=1S/C20H22N2O5S/c1-14-11-16-17(27-13-20(24)22-16)12-18(14)28(25,26)10-8-19(23)21-9-7-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)(H,22,24) GFDYFYRIVHZRMC-UHFFFAOYSA-N 96788 3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylethyl)propanamide::3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylethyl)propanamide::cid_16018447::MLS001116814::SMR000627456::3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propionamide Trace amine-associated receptor 1 Homo sapiens 5783 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96788 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96788&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16018447 164038032 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210893 CCN(CCn1cccn1)C(=O)CC1N(CCc2ccccc2)CCNC1=O InChI=1S/C21H29N5O2/c1-2-24(15-16-26-12-6-10-23-26)20(27)17-19-21(28)22-11-14-25(19)13-9-18-7-4-3-5-8-18/h3-8,10,12,19H,2,9,11,13-17H2,1H3,(H,22,28) OMAAHBNXYDOWTQ-UHFFFAOYSA-N 58634 cid_24794239::MLS001083165::SMR000670317::N-ethyl-2-[3-oxo-1-(2-phenylethyl)-2-piperazinyl]-N-[2-(1-pyrazolyl)ethyl]acetamide::N-ethyl-2-[3-oxidanylidene-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide::N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide::N-ethyl-2-(3-keto-1-phenethyl-piperazin-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide Trace amine-associated receptor 1 Homo sapiens 2198 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=58634 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=58634&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24794239 252638451 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210894 Clc1ccccc1CCNC(=O)CC1N(CCCc2ccccc2)CCNC1=O InChI=1S/C23H28ClN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29) LNCSPSGBYKTBQL-UHFFFAOYSA-N 96789 cid_24816983::SMR000655320::N-[2-(2-chlorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide::N-[2-(2-chlorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide::MLS001082849::N-[2-(2-chlorophenyl)ethyl]-2-[3-oxidanylidene-1-(3-phenylpropyl)piperazin-2-yl]ethanamide::N-[2-(2-chlorophenyl)ethyl]-2-[3-keto-1-(3-phenylpropyl)piperazin-2-yl]acetamide Trace amine-associated receptor 1 Homo sapiens 5213 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96789 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96789&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24816983 164038033 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210895 Fc1ccc(NC(=O)Nc2ccncc2)cc1 InChI=1S/C12H10FN3O/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11/h1-8H,(H2,14,15,16,17) LWSVUFOPFMPAIG-UHFFFAOYSA-N 96790 MLS001230225::cid_17262955::1-(4-fluorophenyl)-3-pyridin-4-yl-urea::1-(4-fluorophenyl)-3-pyridin-4-ylurea::SMR000678209::1-(4-fluorophenyl)-3-(4-pyridyl)urea Trace amine-associated receptor 1 Homo sapiens 4914 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96790 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96790&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 17262955 164038034 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210896 CCc1ccccc1NC(=O)N1CCc2ccccc2C1 InChI=1S/C18H20N2O/c1-2-14-7-5-6-10-17(14)19-18(21)20-12-11-15-8-3-4-9-16(15)13-20/h3-10H,2,11-13H2,1H3,(H,19,21) ZXGPWOZBZZJGFF-UHFFFAOYSA-N 96791 cid_3869589::SMR000678298::MLS001224714::N-(2-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Trace amine-associated receptor 1 Homo sapiens >29931 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96791 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96791&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3869589 164038035 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210897 CCOc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)N\N=C\c1ccc(C)o1 InChI=1S/C19H18N8O4/c1-3-29-13-6-4-5-12(9-13)16-15(22-26-27(16)18-17(20)24-31-25-18)19(28)23-21-10-14-8-7-11(2)30-14/h4-10H,3H2,1-2H3,(H2,20,24)(H,23,28) YJCCEKMNBRLZQB-UHFFFAOYSA-N 96792 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]triazole-4-carboxamide::1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,2,3-triazole-4-carboxamide::MLS001142536::SMR000647884::cid_9631625::1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-(5-methyl-2-furanyl)methylideneamino]-4-triazolecarboxamide::1-(4-aminofurazan-3-yl)-N-[(E)-(5-methyl-2-furyl)methyleneamino]-5-m-phenetyl-triazole-4-carboxamide Trace amine-associated receptor 1 Homo sapiens 17164 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96792 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96792&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9631625 164038036 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210898 CC(Cc1ccccc1)NC=O InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,11,12) SGSYPSYCGPLSML-UHFFFAOYSA-N 96793 SMR000673579::MLS001074351::(1-methyl-2-phenylethyl)formamide::cid_65614::N-(1-phenylpropan-2-yl)formamide::N-(1-phenylpropan-2-yl)methanamide::N-(1-methyl-2-phenyl-ethyl)formamide Trace amine-associated receptor 1 Homo sapiens 2268 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96793 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96793&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 65614 164038037 C06049 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210899 O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)NCCc1ccccc1 |t:4| InChI=1S/C17H17N3O3S2/c21-16(18-11-10-13-6-2-1-3-7-13)12-24-17-19-14-8-4-5-9-15(14)25(22,23)20-17/h1-9H,10-12H2,(H,18,21)(H,19,20) OMAIFGVJDUCDOI-UHFFFAOYSA-N 96794 SMR000812598::2-[(1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide::cid_7192025::2-[(1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-(2-phenylethyl)acetamide::2-[[1,1-bis(oxidanylidene)-4H-1,2,4-benzothiadiazin-3-yl]sulfanyl]-N-(2-phenylethyl)ethanamide::MLS001236754::2-[(1,1-diketo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 6943 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96794 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96794&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 7192025 164038038 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210900 Fc1ccc2N=C(NS(=O)(=O)c2c1)SCC(=O)NCCc1ccccc1 |c:5| InChI=1S/C17H16FN3O3S2/c18-13-6-7-14-15(10-13)26(23,24)21-17(20-14)25-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21) ADBVETNOWQEIHW-UHFFFAOYSA-N 96795 2-[(7-fluoro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-(2-phenylethyl)acetamide::2-[(7-fluoro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide::SMR000812599::2-[[7-fluoranyl-1,1-bis(oxidanylidene)-4H-1,2,4-benzothiadiazin-3-yl]sulfanyl]-N-(2-phenylethyl)ethanamide::cid_7386906::MLS001236764::2-[(7-fluoro-1,1-diketo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 3518 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96795 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96795&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 7386906 164038039 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210901 COc1ccccc1CCNS(=O)(=O)CCNC(=O)c1ccc2OCOc2c1 InChI=1S/C19H22N2O6S/c1-25-16-5-3-2-4-14(16)8-9-21-28(23,24)11-10-20-19(22)15-6-7-17-18(12-15)27-13-26-17/h2-7,12,21H,8-11,13H2,1H3,(H,20,22) MUYMAPZSVHSLOT-UHFFFAOYSA-N 96796 MLS001238424::N-[2-[2-(2-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide::SMR000813050::cid_7423413::N-[2-[2-(2-methoxyphenyl)ethylsulfamoyl]ethyl]-piperonylamide Trace amine-associated receptor 1 Homo sapiens 6620 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96796 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96796&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 7423413 164038040 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210902 O=C(NCCS(=O)(=O)NCCc1ccccc1)c1ccc2OCOc2c1 InChI=1S/C18H20N2O5S/c21-18(15-6-7-16-17(12-15)25-13-24-16)19-10-11-26(22,23)20-9-8-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2,(H,19,21) ZVPARRYZHJVXTN-UHFFFAOYSA-N 96797 SMR000813049::MLS001238414::N-[2-(2-phenylethylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide::cid_7423412::N-[2-(phenethylsulfamoyl)ethyl]-piperonylamide Trace amine-associated receptor 1 Homo sapiens 13710 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96797 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96797&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 7423412 164038041 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210903 O=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc2OCCOc2c1 InChI=1S/C22H25N3O7S/c26-21(23-9-8-16-4-2-1-3-5-16)22(27)24-15-20-25(10-11-32-20)33(28,29)17-6-7-18-19(14-17)31-13-12-30-18/h1-7,14,20H,8-13,15H2,(H,23,26)(H,24,27) IJPZMKXEIDNPPW-UHFFFAOYSA-N 96798 SMR000806470::cid_16812389::MLS001236330::N'-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-phenylethyl)oxamide::N'-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-phenylethyl)ethanediamide::N'-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-oxazolidinyl]methyl]-N-(2-phenylethyl)oxamide::N'-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)oxazolidin-2-yl]methyl]-N-phenethyl-oxamide Trace amine-associated receptor 1 Homo sapiens 8978 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96798 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96798&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16812389 164038042 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210904 Clc1ccc2N=C(NS(=O)(=O)c2c1)SCC(=O)NCCc1ccccc1 |c:5| InChI=1S/C17H16ClN3O3S2/c18-13-6-7-14-15(10-13)26(23,24)21-17(20-14)25-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21) XCMQCRDSEIMJRM-UHFFFAOYSA-N 96799 cid_18580037::SMR000812600::MLS001236774::2-[(7-chloro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide::2-[(7-chloro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-(2-phenylethyl)acetamide::2-[[7-chloranyl-1,1-bis(oxidanylidene)-4H-1,2,4-benzothiadiazin-3-yl]sulfanyl]-N-(2-phenylethyl)ethanamide::2-[(7-chloro-1,1-diketo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 2409 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96799 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96799&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 18580037 164038043 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210905 O=C(CSC(=S)N1CCCC1)NCCc1ccccc1 InChI=1S/C15H20N2OS2/c18-14(12-20-15(19)17-10-4-5-11-17)16-9-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,18) NSZPRMOGTXQDSC-UHFFFAOYSA-N 96800 [2-oxo-2-(2-phenylethylamino)ethyl] pyrrolidine-1-carbodithioate::[2-oxidanylidene-2-(2-phenylethylamino)ethyl] pyrrolidine-1-carbodithioate::cid_7607298::MLS001098008::SMR000706992::1-pyrrolidinecarbodithioic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester::pyrrolidine-1-carbodithioic acid [2-keto-2-(phenethylamino)ethyl] ester Trace amine-associated receptor 1 Homo sapiens 1188 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96800 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96800&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 7607298 164038044 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210906 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17| InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19) REYFJDPCWQRWAA-UHFFFAOYSA-N 76862 Antazoline::SMR000058731::N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline;hydrochloride::cid_17275::MLS000028599::N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride::benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine;phosphoric acid::ANTAZOLINE HYDROCHLORIDE::benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens >29903 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76862 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76862&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2200 252654019 DB08799 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210907 C(C1=NCCN1)c1cccc2ccccc12 |t:1| InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16) CNIIGCLFLJGOGP-UHFFFAOYSA-N 50001922 Naphazoline::Albalon::Opcon::CHEMBL1706::Nafazair::Vasocon::Naphcon forte::2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; hydrochloride::cid_11079::Naphazoline Nitrate::NAPHAZOLINE HYDROCHLORIDE Trace amine-associated receptor 1 Homo sapiens 1154 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001922 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001922&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4436 103916289 CHEMBL1706 DB06711 C07898 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210908 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17| InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19) REYFJDPCWQRWAA-UHFFFAOYSA-N 76862 Antazoline::SMR000058731::N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline;hydrochloride::cid_17275::MLS000028599::N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride::benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine;phosphoric acid::ANTAZOLINE HYDROCHLORIDE::benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens >29909 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76862 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76862&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2200 252654019 DB08799 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210909 Oc1ccc(cc1O)C1CNCc2sccc12 InChI=1S/C13H13NO2S/c15-11-2-1-8(5-12(11)16)10-6-14-7-13-9(10)3-4-17-13/h1-5,10,14-16H,6-7H2 QDKUSZZMIFQVPN-UHFFFAOYSA-N 96802 SKF-89626 hydrobromide::SMR001230767::4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrobromide::MLS002153378::cid_11957695::4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl)pyrocatechol;hydrobromide Trace amine-associated receptor 1 Homo sapiens 4331 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96802 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96802&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 10220536 164038046 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210910 C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12 InChI=1S/C20H18N2O4/c1-13(22-19(24)14-7-3-2-4-8-14)20(25)26-12-18(23)16-11-21-17-10-6-5-9-15(16)17/h2-11,13,21H,12H2,1H3,(H,22,24) XNHYSRPPKPQHBO-UHFFFAOYSA-N 96803 SMR001249442::[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate::cid_2593765::(2S)-2-benzamidopropanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester::[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate::MLS002169104::(2S)-2-benzamidopropionic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Trace amine-associated receptor 1 Homo sapiens 7128 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96803 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96803&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2593765 164038047 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210911 Fc1ccccc1CC(=O)OCC(=O)NCCc1ccccc1 InChI=1S/C18H18FNO3/c19-16-9-5-4-8-15(16)12-18(22)23-13-17(21)20-11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21) FQNVTWRYHYWMBA-UHFFFAOYSA-N 96804 [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)acetate::MLS002162935::SMR001245329::[2-oxidanylidene-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)ethanoate::cid_8661334::2-(2-fluorophenyl)acetic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester::2-(2-fluorophenyl)acetic acid [2-keto-2-(phenethylamino)ethyl] ester Trace amine-associated receptor 1 Homo sapiens 2345 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96804 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96804&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 8661334 164038048 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210912 Cc1cc(C(=O)CN2C(=O)N(C3CCCC3)C(=O)C2=O)c(C)n1CCc1ccccc1 InChI=1S/C24H27N3O4/c1-16-14-20(17(2)25(16)13-12-18-8-4-3-5-9-18)21(28)15-26-22(29)23(30)27(24(26)31)19-10-6-7-11-19/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3 MUDIBLORKOHCNC-UHFFFAOYSA-N 96805 cid_4785037::1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-oxoethyl]imidazolidine-2,4,5-trione::SMR001244050::1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione::1-cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]imidazolidine-2,4,5-trione::MLS002161629::1-cyclopentyl-3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]imidazolidine-2,4,5-trione Trace amine-associated receptor 1 Homo sapiens 3278 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96805 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96805&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4785037 164038049 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210913 N[C@@H]1C[C@H]1c1ccccc1 |r| InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2 AELCINSCMGFISI-UHFFFAOYSA-N 50240772 (1R,2S)-2-phenylcyclopropanamine::cid_2723716::(tranylcypromine)2-Phenyl-cyclopropylamine::2-Phenyl-cyclopropylamine::CHEMBL1179::(1R,2S)-(-)-2-phenylcyclopropylamine::Parnate::rel-Tranylcypromine::TRANYLCYPROMINE HYDROCHLORIDE::TRANYLCYPROMINE::US8993808, Tranylcypromine::US9180183, Tranylcypromine::US10836743, Compound TCP Trace amine-associated receptor 1 Homo sapiens 2097 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240772 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240772&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 19493 104098450 CHEMBL1179 C07155 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210914 COc1cc(CCN)ccc1O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N 85380 CAS_1477-68-5::cid_11957621::3-O-Methyldopamine hydrochloride::MT-3 Trace amine-associated receptor 1 Homo sapiens 21614 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85380 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85380&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1669 136351480 C05587 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210915 ClCCCC(=O)N1CCc2[nH]c3ccccc3c2C1 InChI=1S/C15H17ClN2O/c16-8-3-6-15(19)18-9-7-14-12(10-18)11-4-1-2-5-13(11)17-14/h1-2,4-5,17H,3,6-10H2 PAOMATUKHSKOND-UHFFFAOYSA-N 96806 4-chloranyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one::4-chloro-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one::4-chloro-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-butanone::SMR001224427::cid_3678812::MLS001359916::4-chloro-1-(1,3,4,5-tetrahydropyrid[4,3-b]indol-2-yl)butan-1-one Trace amine-associated receptor 1 Homo sapiens 2053 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96806 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96806&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3678812 164038050 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210916 Cc1cc(C(=O)CN2CCN(CC2)C2CCS(=O)(=O)C2)c(C)n1CCc1ccccc1 InChI=1S/C24H33N3O3S/c1-19-16-23(20(2)27(19)10-8-21-6-4-3-5-7-21)24(28)17-25-11-13-26(14-12-25)22-9-15-31(29,30)18-22/h3-7,16,22H,8-15,17-18H2,1-2H3 DKGXZXQAPWBZIG-UHFFFAOYSA-N 96807 1-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]ethanone::SMR001250534::cid_16330350::2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone::1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone::MLS002170213::2-[4-(1,1-diketothiolan-3-yl)piperazino]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Trace amine-associated receptor 1 Homo sapiens 7946 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96807 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96807&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16330350 164038051 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210917 Cc1cc(C(=O)CN2C(=O)N(C3CCCC3)C(=O)C2=O)c(C)n1CCc1ccc(F)cc1 InChI=1S/C24H26FN3O4/c1-15-13-20(16(2)26(15)12-11-17-7-9-18(25)10-8-17)21(29)14-27-22(30)23(31)28(24(27)32)19-5-3-4-6-19/h7-10,13,19H,3-6,11-12,14H2,1-2H3 VVHJFUHNZIWDMK-UHFFFAOYSA-N 96808 cid_16326306::MLS002164292::1-cyclopentyl-3-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]imidazolidine-2,4,5-trione::SMR001246668::1-cyclopentyl-3-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione::1-cyclopentyl-3-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]imidazolidine-2,4,5-trione::1-cyclopentyl-3-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]imidazolidine-2,4,5-trione Trace amine-associated receptor 1 Homo sapiens 5570 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96808 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96808&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16326306 164038052 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210918 Cc1cc(Cl)nc(Cl)c1C(=O)NCCc1ccccc1 InChI=1S/C15H14Cl2N2O/c1-10-9-12(16)19-14(17)13(10)15(20)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,20) KXRLSPQNJRFUDI-UHFFFAOYSA-N 96809 cid_3956566::2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide::2,6-dichloro-4-methyl-N-(2-phenylethyl)-3-pyridinecarboxamide::2,6-bis(chloranyl)-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide::SMR001224447::MLS001359918::2,6-dichloro-4-methyl-N-phenethyl-nicotinamide Trace amine-associated receptor 1 Homo sapiens 14335 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96809 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96809&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3956566 164038053 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210919 CN(C)c1cc(C)nc(Nc2ccccc2)n1 InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16) BLSAOFXWZBPJER-UHFFFAOYSA-N 96810 cid_718645::N4,N4,6-trimethyl-N2-phenyl-pyrimidine-2,4-diamine::MLS001360438::4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine::SMR001223947::N4,N4,6-trimethyl-N2-phenylpyrimidine-2,4-diamine::(2-anilino-6-methyl-pyrimidin-4-yl)-dimethyl-amine Trace amine-associated receptor 1 Homo sapiens 273 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96810 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96810&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 718645 164038054 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210920 O=C(Nc1nccs1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1 InChI=1S/C17H15N5O2S/c23-15(21-17-18-6-8-25-17)13-14(20-10-19-13)16(24)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,6,8,10H,5,7,9H2,(H,19,20)(H,18,21,23) CPICWGTYXBYFQI-UHFFFAOYSA-N 96811 cid_42601283::SMR001306558::5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide::MLS002206728::5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide::5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(2-thiazolyl)-1H-imidazole-4-carboxamide::5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-thiazol-2-yl-1H-imidazole-4-carboxamide Trace amine-associated receptor 1 Homo sapiens 4951 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96811 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96811&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 42601283 164038055 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210921 CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc(O)cc1=O InChI=1S/C18H21N3O3S/c1-2-8-21-16(23)10-15(22)19-18(21)25-12-17(24)20-9-7-13-5-3-4-6-14(13)11-20/h3-6,10,22H,2,7-9,11-12H2,1H3 MGYOITUKKFRVQC-UHFFFAOYSA-N 96812 MLS002245943::cid_4788237::SMR000838792::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-hydroxy-1-propyl-4-pyrimidinone::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-hydroxy-1-propylpyrimidin-4-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-hydroxy-1-propyl-pyrimidin-4-one Trace amine-associated receptor 1 Homo sapiens 12414 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96812 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96812&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4788237 164038056 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210922 CC(C)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc(O)cc1=O InChI=1S/C19H23N3O3S/c1-13(2)10-22-17(24)9-16(23)20-19(22)26-12-18(25)21-8-7-14-5-3-4-6-15(14)11-21/h3-6,9,13,23H,7-8,10-12H2,1-2H3 KEEYFFWLKORERP-UHFFFAOYSA-N 96813 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-hydroxy-1-(2-methylpropyl)-4-pyrimidinone::cid_16275304::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-hydroxy-1-(2-methylpropyl)pyrimidin-4-one::MLS002252971::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylpropyl)-6-oxidanyl-pyrimidin-4-one::SMR001315304::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-hydroxy-1-isobutyl-pyrimidin-4-one Trace amine-associated receptor 1 Homo sapiens 14607 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96813 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96813&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16275304 164038057 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210923 Fc1ccccc1C(=O)NCC(=O)OCC(=O)c1c[nH]c2ccccc12 InChI=1S/C19H15FN2O4/c20-15-7-3-1-6-13(15)19(25)22-10-18(24)26-11-17(23)14-9-21-16-8-4-2-5-12(14)16/h1-9,21H,10-11H2,(H,22,25) OZIOKSGPACWEKC-UHFFFAOYSA-N 96814 SMR001313899::MLS002251504::cid_2602001::2-[[(2-fluorophenyl)-oxomethyl]amino]acetic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester::[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]ethanoate::[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate::2-[(2-fluorobenzoyl)amino]acetic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Trace amine-associated receptor 1 Homo sapiens 20271 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96814 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96814&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2602001 164038058 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210924 Cc1nnc(SCC(=O)NCCC2=CCCCC2)[nH]c1=O |t:12| InChI=1S/C14H20N4O2S/c1-10-13(20)16-14(18-17-10)21-9-12(19)15-8-7-11-5-3-2-4-6-11/h5H,2-4,6-9H2,1H3,(H,15,19)(H,16,18,20) KKCOMSGKOHYASA-UHFFFAOYSA-N 96815 MLS002251526::N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide::cid_9113346::N-[2-(1-cyclohexenyl)ethyl]-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]acetamide::SMR001313920::N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide::N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]acetamide Trace amine-associated receptor 1 Homo sapiens 7221 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96815 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96815&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9113346 164038059 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210925 CN(CC(=O)Nc1ccccc1Cl)C(=O)CCNC(=O)Nc1ccccc1 InChI=1S/C19H21ClN4O3/c1-24(13-17(25)23-16-10-6-5-9-15(16)20)18(26)11-12-21-19(27)22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,25)(H2,21,22,27) BWBWSSQSBXNODV-UHFFFAOYSA-N 96816 SMR001308765::3-[[anilino(oxo)methyl]amino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide::N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide::N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide::MLS002245100::cid_16292840::N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-3-(phenylcarbamoylamino)propionamide Trace amine-associated receptor 1 Homo sapiens 19996 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96816 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96816&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16292840 164038060 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210926 CCC(N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O)c1nnnn1Cc1ccco1 InChI=1S/C28H30N6O2/c1-3-26(27-30-31-32-34(27)19-24-10-7-15-36-24)33(14-13-21-8-5-4-6-9-21)18-23-17-22-16-20(2)11-12-25(22)29-28(23)35/h4-12,15-17,26H,3,13-14,18-19H2,1-2H3,(H,29,35) DRRVAPPLSGUWQJ-UHFFFAOYSA-N 96817 SMR000004424::3-({[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-phenethyl-amino}-methyl)-6-methyl-1H-quinolin-2-one::3-[[1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one::3-[[1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one::cid_653784::3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one::MLS002534443::3-[[1-[1-(2-furfuryl)tetrazol-5-yl]propyl-phenethyl-amino]methyl]-6-methyl-carbostyril Trace amine-associated receptor 1 Homo sapiens 14915 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96817 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96817&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 653784 164038061 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210927 C(Cc1ccccc1)ON=Cc1cccnc1 InChI=1S/C14H14N2O/c1-2-5-13(6-3-1)8-10-17-16-12-14-7-4-9-15-11-14/h1-7,9,11-12H,8,10H2 JCVYFJONAJNXEU-UHFFFAOYSA-N 96818 cid_235976::N-(2-phenylethoxy)-1-(3-pyridinyl)methanimine::N-(2-phenylethoxy)-1-pyridin-3-yl-methanimine::MLS002608065::N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine::SMR001526816::phenethoxy(3-pyridylmethylene)amine Trace amine-associated receptor 1 Homo sapiens 13454 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96818 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96818&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 235976 164038062 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210928 CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1 InChI=1S/C22H29N3O2/c1-3-4-17-27-21-11-5-18(6-12-21)22(26)23-19-7-9-20(10-8-19)25-15-13-24(2)14-16-25/h5-12H,3-4,13-17H2,1-2H3,(H,23,26) DJOOLMZFDMWRCR-UHFFFAOYSA-N 96819 4-butoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide::SMR000074347::cid_1814746::MLS002545862::4-butoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide::4-butoxy-N-[4-(4-methylpiperazino)phenyl]benzamide Trace amine-associated receptor 1 Homo sapiens >29908 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96819 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96819&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1814746 164038063 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210929 Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccc(C)cc1 InChI=1S/C23H24N2O4S/c1-16-7-9-19(10-8-16)23-24-21(17(2)29-23)14-30(27,28)15-22(26)25-12-11-18-5-3-4-6-20(18)13-25/h3-10H,11-15H2,1-2H3 GCVQIGHVKKCWJF-UHFFFAOYSA-N 45418 cid_5309336::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone::MLS000117702::SMR000094650::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methylsulfonyl]ethanone Trace amine-associated receptor 1 Homo sapiens 5402 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45418 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45418&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5309336 252626017 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210930 CCN1CCN(CC1)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3c2C)-c2ccccc2)cc1 InChI=1S/C30H36N6O/c1-5-34-17-19-35(20-18-34)26-13-11-25(12-14-26)32-28(37)16-15-27-21(2)31-30-29(24-9-7-6-8-10-24)22(3)33-36(30)23(27)4/h6-14H,5,15-20H2,1-4H3,(H,32,37) QUFJOKCUAXSECC-UHFFFAOYSA-N 96820 N-[4-(4-ethyl-1-piperazinyl)phenyl]-3-(2,5,7-trimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)propanamide::N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2,5,7-trimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide::N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide::MLS002587495::SMR000127805::cid_9550740::N-[4-(4-ethylpiperazino)phenyl]-3-(2,5,7-trimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl)propionamide Trace amine-associated receptor 1 Homo sapiens 18608 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96820 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96820&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9550740 164038064 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210931 O=C(CCN1CCc2ccccc2C(C1)c1ccccc1)c1ccc2OCCOc2c1 InChI=1S/C27H27NO3/c29-25(22-10-11-26-27(18-22)31-17-16-30-26)13-15-28-14-12-21-8-4-5-9-23(21)24(19-28)20-6-2-1-3-7-20/h1-11,18,24H,12-17,19H2 MRBRTBIIJAGDSN-UHFFFAOYSA-N 71925 SMR000146102::MLS000552587::1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(1-phenyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-propan-1-one::cid_9550046::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1-propanone;hydrochloride::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one;hydrochloride Trace amine-associated receptor 1 Homo sapiens 9276 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71925 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=71925&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3748539 252649195 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210932 CC1NC(C)c2c(O1)ccc1ccccc21 InChI=1S/C14H15NO/c1-9-14-12-6-4-3-5-11(12)7-8-13(14)16-10(2)15-9/h3-10,15H,1-2H3 GQXALQAJXQEPBC-UHFFFAOYSA-N 96821 SMR001556935::MLS002667163::cid_241049::1,3-dimethyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine Trace amine-associated receptor 1 Homo sapiens 770.23 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96821 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96821&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 241049 164038065 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210933 Cc1cc(-c2csc(N)n2)c(C)n1CCc1ccccc1 InChI=1S/C17H19N3S/c1-12-10-15(16-11-21-17(18)19-16)13(2)20(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19) RFEIFPRNCTUAPS-UHFFFAOYSA-N 48129 cid_6602929::4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-amine;hydrochloride::MLS000056022::SMR000068520::4-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-thiazolamine;hydrochloride::[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]amine;hydrochloride Trace amine-associated receptor 1 Homo sapiens 3803 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=48129 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=48129&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2999027 252628427 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210934 O=c1cc(CN=Nc2ccccc2)[nH]c(=O)[nH]1 |w:6.6| InChI=1S/C11H10N4O2/c16-10-6-9(13-11(17)14-10)7-12-15-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,16,17) OCLGCDGYRPLALW-UHFFFAOYSA-N 96822 MLS002703808::cid_266528::6-[(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione::SMR001570522::6-[(phenylhydrazono)methyl]uracil Trace amine-associated receptor 1 Homo sapiens 15626 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96822 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96822&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899618 164038066 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210935 COc1cc(cc(OC)c1OC)C1C(C)C(NCCc2ccccc2)Oc2cc3OCOc3cc12 InChI=1S/C28H31NO6/c1-17-26(19-12-24(30-2)27(32-4)25(13-19)31-3)20-14-22-23(34-16-33-22)15-21(20)35-28(17)29-11-10-18-8-6-5-7-9-18/h5-9,12-15,17,26,28-29H,10-11,16H2,1-4H3 OOHSXVUDZOOJQR-UHFFFAOYSA-N 96823 SMR001565834::7-methyl-N-(2-phenylethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine::MLS002702272::cid_384844::7-methyl-N-(2-phenylethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-amine::[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine Trace amine-associated receptor 1 Homo sapiens 260.71 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96823 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96823&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 384844 164038067 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210936 NCC(=O)c1ccccc1 InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2 HEQOJEGTZCTHCF-UHFFFAOYSA-N 96824 cid_2723597::2-Aminoacetophenone hydrochloride::MLS002207080::SMR001306710::2-azanyl-1-phenyl-ethanone;hydrochloride::2-amino-1-phenylethanone;hydrochloride::2-amino-1-phenyl-ethanone;hydrochloride Trace amine-associated receptor 1 Homo sapiens 7415 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96824 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96824&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 11952 164038068 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210937 COc1cccc(C)c1N=C1NCCO1 |w:9.9| InChI=1S/C11H14N2O2/c1-8-4-3-5-9(14-2)10(8)13-11-12-6-7-15-11/h3-5H,6-7H2,1-2H3,(H,12,13) AAYGWMVNFUJRJN-UHFFFAOYSA-N 96825 N-(2-methoxy-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine::N-(2-methoxy-6-methyl-phenyl)-4,5-dihydro-1,3-oxazol-2-amine::SMR001821441::cid_98724::MLS003106542::N-(2-methoxy-6-methylphenyl)-4,5-dihydrooxazol-2-amine::(2-methoxy-6-methyl-phenyl)-(2-oxazolin-2-yl)amine Trace amine-associated receptor 1 Homo sapiens 4116 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96825 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96825&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 98724 164038069 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210938 S=C1SCN(CCc2ccccc2)CN1CCc1ccccc1 InChI=1S/C19H22N2S2/c22-19-21(14-12-18-9-5-2-6-10-18)15-20(16-23-19)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2 NYQTVLZGKQXVIT-UHFFFAOYSA-N 96826 cid_72816::3,5-bis(2-phenylethyl)-1,3,5-thiadiazinane-2-thione::MLS003107143::SMR001822021::3,5-diphenethyl-1,3,5-thiadiazinane-2-thione Trace amine-associated receptor 1 Homo sapiens 3348 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96826 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96826&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 72816 164038070 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210939 CC(NCCc1ccccc1)=C1CCOC1=O |w:1.0| InChI=1S/C14H17NO2/c1-11(13-8-10-17-14(13)16)15-9-7-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3 DDGZHQCGFGOVJG-UHFFFAOYSA-N 96827 SMR001822078::cid_6392532::(3E)-3-[1-(2-phenylethylamino)ethylidene]-2-oxolanone::MLS003107203::(3E)-3-[1-(2-phenylethylamino)ethylidene]oxolan-2-one::(3E)-3-[1-(phenethylamino)ethylidene]tetrahydrofuran-2-one Trace amine-associated receptor 1 Homo sapiens 2345 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96827 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96827&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6392532 164038071 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210940 CC(NCCc1ccc(O)cc1)=C1CCOC1=O |w:1.0| InChI=1S/C14H17NO3/c1-10(13-7-9-18-14(13)17)15-8-6-11-2-4-12(16)5-3-11/h2-5,15-16H,6-9H2,1H3 GZHVGMBLHGHIEO-UHFFFAOYSA-N 96828 cid_6392533::SMR001822079::MLS003107204::(3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethylidene]oxolan-2-one::(3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethylidene]-2-oxolanone::(3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethylidene]tetrahydrofuran-2-one Trace amine-associated receptor 1 Homo sapiens 9266 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96828 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96828&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6392533 164038072 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210941 COc1ncnc2n(CCCNCC(C)c3ccccc3)cnc12 InChI=1S/C18H23N5O/c1-14(15-7-4-3-5-8-15)11-19-9-6-10-23-13-22-16-17(23)20-12-21-18(16)24-2/h3-5,7-8,12-14,19H,6,9-11H2,1-2H3 XUNOMHKZJKVKAD-UHFFFAOYSA-N 96829 N-[3-(6-methoxy-9-purinyl)propyl]-2-phenyl-1-propanamine::N-[3-(6-methoxypurin-9-yl)propyl]-2-phenyl-propan-1-amine::N-[3-(6-methoxypurin-9-yl)propyl]-2-phenylpropan-1-amine::SMR001832339::MLS003116784::cid_46903481::3-(6-methoxypurin-9-yl)propyl-(2-phenylpropyl)amine Trace amine-associated receptor 1 Homo sapiens 12789 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96829 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96829&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 46903481 164038073 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210942 Cc1cc(C)c2cc(C#N)c(nc2c1)N1CCNCC1 InChI=1S/C16H18N4/c1-11-7-12(2)14-9-13(10-17)16(19-15(14)8-11)20-5-3-18-4-6-20/h7-9,18H,3-6H2,1-2H3 AGWQWXZPAVLKSU-UHFFFAOYSA-N 96830 5,7-dimethyl-2-(1-piperazinyl)-3-quinolinecarbonitrile::SMR001856260::MLS003151666::cid_28809628::5,7-dimethyl-2-piperazin-1-yl-quinoline-3-carbonitrile::5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile::5,7-dimethyl-2-piperazino-quinoline-3-carbonitrile Trace amine-associated receptor 1 Homo sapiens 4285 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96830 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96830&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 28809628 164038074 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210943 COc1cccc(Nc2nc(cs2)C(C)N)n1 InChI=1S/C11H14N4OS/c1-7(12)8-6-17-11(13-8)15-9-4-3-5-10(14-9)16-2/h3-7H,12H2,1-2H3,(H,13,14,15) AQEBSIWCIHIOKX-UHFFFAOYSA-N 96831 4-(1-azanylethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine::4-(1-aminoethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine::4-(1-aminoethyl)-N-(6-methoxy-2-pyridinyl)-2-thiazolamine::MLS003123738::cid_46942876::SMR001291787::[4-(1-aminoethyl)thiazol-2-yl]-(6-methoxy-2-pyridyl)amine Trace amine-associated receptor 1 Homo sapiens 4761 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96831 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96831&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 46942876 164038075 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210944 Clc1ccccc1CCNC(=O)CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O InChI=1S/C20H18ClN3O4S/c21-14-4-2-1-3-12(14)5-7-22-18(25)6-8-24-19(26)13-9-16-17(28-11-27-16)10-15(13)23-20(24)29/h1-4,9-10H,5-8,11H2,(H,22,25)(H,23,29) MSVWQKLXHWOPPZ-UHFFFAOYSA-N 96832 N-[2-(2-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide::cid_3574265::SMR000634351::N-[2-(2-chlorophenyl)ethyl]-3-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide::MLS001029373::N-[2-(2-chlorophenyl)ethyl]-3-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propionamide Trace amine-associated receptor 1 Homo sapiens 9239 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96832 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96832&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3574265 164038076 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210945 NC(Cc1ccc(F)cc1)c1csc(Nc2ccc(cc2)S(N)(=O)=O)n1 InChI=1S/C17H17FN4O2S2/c18-12-3-1-11(2-4-12)9-15(19)16-10-25-17(22-16)21-13-5-7-14(8-6-13)26(20,23)24/h1-8,10,15H,9,19H2,(H,21,22)(H2,20,23,24) ZCRSHAHUGRQYJU-UHFFFAOYSA-N 96833 cid_46944160::4-[[4-[1-azanyl-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide::MLS003123782::4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-2-thiazolyl]amino]benzenesulfonamide::SMR001291845::4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide::4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]thiazol-2-yl]amino]benzenesulfonamide Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96833 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96833&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 46944160 164038077 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210946 CN(CCc1ccccc1)C(=O)CC1N(Cc2ccccn2)CCNC1=O InChI=1S/C21H26N4O2/c1-24(13-10-17-7-3-2-4-8-17)20(26)15-19-21(27)23-12-14-25(19)16-18-9-5-6-11-22-18/h2-9,11,19H,10,12-16H2,1H3,(H,23,27) GMLMNTIQJBTJKJ-UHFFFAOYSA-N 96834 SMR000659389::N-methyl-2-[3-oxo-1-(2-pyridinylmethyl)-2-piperazinyl]-N-(2-phenylethyl)acetamide::cid_45224887::N-methyl-2-[3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(2-phenylethyl)ethanamide::N-methyl-2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide::MLS001090508::2-[3-keto-1-(2-pyridylmethyl)piperazin-2-yl]-N-methyl-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 9928 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96834 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96834&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 45224887 164038078 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210947 COc1cccc(Nc2nc(cs2)C(N)COCc2ccccc2)n1 InChI=1S/C18H20N4O2S/c1-23-17-9-5-8-16(21-17)22-18-20-15(12-25-18)14(19)11-24-10-13-6-3-2-4-7-13/h2-9,12,14H,10-11,19H2,1H3,(H,20,21,22) BSEATIOFJZYCAZ-UHFFFAOYSA-N 96835 SMR001291766::MLS003123728::cid_49786599::4-(1-azanyl-2-phenylmethoxy-ethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine::4-(1-amino-2-phenylmethoxyethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine::4-(1-amino-2-phenylmethoxyethyl)-N-(6-methoxy-2-pyridinyl)-2-thiazolamine::[4-(1-amino-2-benzoxy-ethyl)thiazol-2-yl]-(6-methoxy-2-pyridyl)amine Trace amine-associated receptor 1 Homo sapiens 8791 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96835 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96835&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 49786599 164038079 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210948 NC(Cc1ccccc1)c1csc(Nc2ccc(cc2)C(=O)NCCO)n1 InChI=1S/C20H22N4O2S/c21-17(12-14-4-2-1-3-5-14)18-13-27-20(24-18)23-16-8-6-15(7-9-16)19(26)22-10-11-25/h1-9,13,17,25H,10-12,21H2,(H,22,26)(H,23,24) MBAUJPOXBYJOLS-UHFFFAOYSA-N 96836 cid_49792404::4-[[4-(1-amino-2-phenylethyl)-2-thiazolyl]amino]-N-(2-hydroxyethyl)benzamide::SMR001291934::4-[[4-(1-amino-2-phenylethyl)-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide::MLS003123845::4-[[4-(1-azanyl-2-phenyl-ethyl)-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide::4-[[4-(1-amino-2-phenyl-ethyl)thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide Trace amine-associated receptor 1 Homo sapiens >29913 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96836 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96836&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 49792404 164038080 C04080 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210949 [H]C12CCC([H])(O1)c1c2cc(N(C)CCc2ccccc2)c2ccn(C)c12 |TLB:26:7:6:3.2,THB:9:8:6:3.2| 96837 SMR001994593::MLS003314927::cid_51360628 Trace amine-associated receptor 1 Homo sapiens 5224 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96837 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96837&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51360628 164038081 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210950 FC(F)(F)c1nc(c([nH]1)C(=O)NCCc1ccccc1)-c1ccccc1 InChI=1S/C19H16F3N3O/c20-19(21,22)18-24-15(14-9-5-2-6-10-14)16(25-18)17(26)23-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,23,26)(H,24,25) LHADROPQPDBPOV-UHFFFAOYSA-N 96838 4-phenyl-N-(2-phenylethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide::SMR001950445::MLS003270050::cid_51361119::N-phenethyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide Trace amine-associated receptor 1 Homo sapiens 9434 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96838 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96838&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51361119 164038082 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210951 Oc1ccc(CCNC(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)cc1 InChI=1S/C19H16F3N3O2/c20-19(21,22)18-24-15(13-4-2-1-3-5-13)16(25-18)17(27)23-11-10-12-6-8-14(26)9-7-12/h1-9,26H,10-11H2,(H,23,27)(H,24,25) NEAQSNRRIGFYGJ-UHFFFAOYSA-N 96839 SMR001950448::MLS003270053::cid_51361122::N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide Trace amine-associated receptor 1 Homo sapiens 5528 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96839 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96839&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51361122 164038083 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210952 FC(F)(F)c1nc(c([nH]1)C(=O)N1CCc2ccccc2C1)-c1ccccc1 InChI=1S/C20H16F3N3O/c21-20(22,23)19-24-16(14-7-2-1-3-8-14)17(25-19)18(27)26-11-10-13-6-4-5-9-15(13)12-26/h1-9H,10-12H2,(H,24,25) FCSLILHEGJBREI-UHFFFAOYSA-N 96840 MLS003270065::cid_51361134::SMR001950460::3,4-dihydro-1H-isoquinolin-2-yl-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone Trace amine-associated receptor 1 Homo sapiens 9848 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96840 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96840&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51361134 164038084 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210953 C[C@H](Cc1ccc(cc1)O)N InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3 GIKNHHRFLCDOEU-UHFFFAOYSA-N 81459 CAS_103-86-6::NSC_3651::4-(2-aminopropyl)phenol;hydrobromide::Hydroxyamphetamine,(+/-) Trace amine-associated receptor 1 Homo sapiens 11847 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81459 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81459&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search AEG 3BUF 3651 131342033 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210954 C[C@H](Cc1ccc(cc1)O)N InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3 GIKNHHRFLCDOEU-UHFFFAOYSA-N 81459 CAS_103-86-6::NSC_3651::4-(2-aminopropyl)phenol;hydrobromide::Hydroxyamphetamine,(+/-) Trace amine-associated receptor 1 Homo sapiens 5842 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81459 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81459&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search AEG 3BUF 3651 131342033 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210955 CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3OCOc3c1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 |c:9| InChI=1S/C31H36N2O7/c1-3-38-30(36)31-14-7-6-10-27(31)33(19-21-11-12-25-26(16-21)40-20-39-25)29(35)23(18-31)17-28(34)32-15-13-22-8-4-5-9-24(22)37-2/h4-5,8-12,16,23H,3,6-7,13-15,17-20H2,1-2H3,(H,32,34) XXMUGWYLQOWUOL-UHFFFAOYSA-N 96843 MLS003551833::(3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylic acid ethyl ester::cid_53299953::SMR002202578::ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate::ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate::(3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-piperonyl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 5855 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96843 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96843&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53299953 164038087 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210956 CCOC(=O)[C@]12CCC=C1N(Cc1ccc3OCOc3c1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 |c:8| InChI=1S/C30H34N2O7/c1-3-37-29(35)30-13-6-9-26(30)32(18-20-10-11-24-25(15-20)39-19-38-24)28(34)22(17-30)16-27(33)31-14-12-21-7-4-5-8-23(21)36-2/h4-5,7-11,15,22H,3,6,12-14,16-19H2,1-2H3,(H,31,33) CNXCAZVTWLYVQH-UHFFFAOYSA-N 96844 SMR002202672::cid_53300042::ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate::(3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylic acid ethyl ester::MLS003551927::ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate::(3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-piperonyl-3,4,5,6-tetrahydro-1-pyrindine-4a-carboxylic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 6465 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96844 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96844&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53300042 164038088 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210957 CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 |c:8,t:14| InChI=1S/C30H40N2O5/c1-3-37-29(35)30-17-9-14-26(30)32(19-16-22-10-5-4-6-11-22)28(34)24(21-30)20-27(33)31-18-15-23-12-7-8-13-25(23)36-2/h7-8,10,12-14,24H,3-6,9,11,15-21H2,1-2H3,(H,31,33) ZOEFZYQJLHTQGA-UHFFFAOYSA-N 96845 SMR002202695::ethyl (3S,4aS)-1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate::ethyl (3S,4aS)-1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate::(3S,4aS)-1-[2-(1-cyclohexenyl)ethyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylic acid ethyl ester::MLS003551950::cid_53300065::(3S,4aS)-1-[2-(cyclohexen-1-yl)ethyl]-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-3,4,5,6-tetrahydro-1-pyrindine-4a-carboxylic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 13292 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96845 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96845&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53300065 164038089 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210958 COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=CCCCC2 |c:34| InChI=1S/C30H36N2O5/c1-36-25-14-9-8-13-23(25)16-18-31-27(33)19-24-20-30(29(35)37-2)17-10-4-7-15-26(30)32(28(24)34)21-22-11-5-3-6-12-22/h3,5-6,8-9,11-15,24H,4,7,10,16-21H2,1-2H3,(H,31,33) MGJXLAPIIOKKNS-UHFFFAOYSA-N 96846 methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-1-(phenylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate::MLS003551973::cid_53300088::methyl (3S,4aS)-1-benzyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate::(3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-1-(phenylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester::SMR002202718::(3S,4aS)-1-benzyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 4833 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96846 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96846&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53300088 164038090 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210959 CCCCCCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)C[C@]2(CCCCC=C12)C(=O)OC |t:33| InChI=1S/C31H46N2O5/c1-4-5-6-7-8-14-21-33-27-17-10-9-13-19-31(27,30(36)38-3)23-25(29(33)35)22-28(34)32-20-18-24-15-11-12-16-26(24)37-2/h11-12,15-17,25H,4-10,13-14,18-23H2,1-3H3,(H,32,34) BSDKQUAJTWZZCI-UHFFFAOYSA-N 96847 methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-octyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate::methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate::cid_53300195::MLS003551996::(3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester::SMR002202741::(3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-octyl-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 9433 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96847 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96847&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53300195 164038091 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210960 CCCCc1c(ncn1CCc1cccc(F)c1)-c1ccccc1OC InChI=1S/C22H25FN2O/c1-3-4-11-20-22(19-10-5-6-12-21(19)26-2)24-16-25(20)14-13-17-8-7-9-18(23)15-17/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3 CQMJBJHECXVYJW-UHFFFAOYSA-N 96848 cid_53300726::5-butyl-1-(3-fluorophenethyl)-4-(2-methoxyphenyl)-1H-imidazole::SMR002157300::MLS003509126::5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-tris(fluoranyl)ethanoic acid::5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 4331 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96848 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96848&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 50985926 164038092 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210961 OC[C@H]1O[C@H](CC(=O)NCCc2ccccc2)C=C[C@@H]1NC(=O)Cc1ccccn1 |c:18| InChI=1S/C23H27N3O4/c27-16-21-20(26-23(29)14-18-8-4-5-12-24-18)10-9-19(30-21)15-22(28)25-13-11-17-6-2-1-3-7-17/h1-10,12,19-21,27H,11,13-16H2,(H,25,28)(H,26,29) KFSLXABHENFSRM-UHFFFAOYSA-N 96849 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide::cid_53382661::MLS003649998::2-[(2S,3S,6R)-2-(hydroxymethyl)-3-(2-pyridin-2-ylethanoylamino)-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)ethanamide::SMR002339543::2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide::2-[(2S,3S,6R)-2-methylol-3-[[2-(2-pyridyl)acetyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenethyl-acetamide Trace amine-associated receptor 1 Homo sapiens 17089 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96849 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96849&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53382661 164038093 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210962 Nc1sc2CCCCc2c1C(=O)NCCc1ccccc1 InChI=1S/C17H20N2OS/c18-16-15(13-8-4-5-9-14(13)21-16)17(20)19-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,18H2,(H,19,20) LOZNRBDSZHVSGO-UHFFFAOYSA-N 96850 SMR002356510::cid_674370::2-amino-N-phenethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide::MLS003675888::2-azanyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide::2-amino-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide::2-amino-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Trace amine-associated receptor 1 Homo sapiens 4884 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96850 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96850&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 674370 164038094 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210963 CC(C)c1cc(C(=O)NCCc2cccs2)c(N)s1 InChI=1S/C14H18N2OS2/c1-9(2)12-8-11(13(15)19-12)14(17)16-6-5-10-4-3-7-18-10/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,17) NFXPEAUVGIUFDI-UHFFFAOYSA-N 96851 cid_53383658::2-amino-5-propan-2-yl-N-(2-thiophen-2-ylethyl)thiophene-3-carboxamide::2-amino-5-isopropyl-N-(2-(thiophen-2-yl)ethyl)thiophene-3-carboxamide::2-amino-5-propan-2-yl-N-(2-thiophen-2-ylethyl)-3-thiophenecarboxamide::SMR002356535::2-azanyl-5-propan-2-yl-N-(2-thiophen-2-ylethyl)thiophene-3-carboxamide::MLS003675913::2-amino-5-isopropyl-N-[2-(2-thienyl)ethyl]thiophene-3-carboxamide Trace amine-associated receptor 1 Homo sapiens 10347 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96851 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96851&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53383658 164038095 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210964 CN(CCc1ccccc1)C(C(=O)c1ccc2OCOc2c1)c1nnnn1-c1ccccc1NC(=O)OC(C)(C)C InChI=1S/C30H32N6O5/c1-30(2,3)41-29(38)31-22-12-8-9-13-23(22)36-28(32-33-34-36)26(35(4)17-16-20-10-6-5-7-11-20)27(37)21-14-15-24-25(18-21)40-19-39-24/h5-15,18,26H,16-17,19H2,1-4H3,(H,31,38) DDUWDIFZVVFHBQ-UHFFFAOYSA-N 96852 SMR002353220::tert-butyl N-[2-[5-[2-(1,3-benzodioxol-5-yl)-1-[methyl(2-phenylethyl)amino]-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-1-yl]phenyl]carbamate::tert-butyl N-[2-[5-[2-(1,3-benzodioxol-5-yl)-1-[methyl(2-phenylethyl)amino]-2-oxoethyl]tetrazol-1-yl]phenyl]carbamate::N-[2-[5-[2-(1,3-benzodioxol-5-yl)-1-[methyl(2-phenylethyl)amino]-2-oxoethyl]-1-tetrazolyl]phenyl]carbamic acid tert-butyl ester::MLS003673529::cid_53383675::N-[2-[5-[2-(1,3-benzodioxol-5-yl)-2-keto-1-[methyl(phenethyl)amino]ethyl]tetrazol-1-yl]phenyl]carbamic acid tert-butyl ester Trace amine-associated receptor 1 Homo sapiens 3265 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96852 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96852&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53383675 164038096 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210965 CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 |c:9,t:15| InChI=1S/C31H42N2O5/c1-3-38-30(36)31-18-10-9-15-27(31)33(20-17-23-11-5-4-6-12-23)29(35)25(22-31)21-28(34)32-19-16-24-13-7-8-14-26(24)37-2/h7-8,11,13-15,25H,3-6,9-10,12,16-22H2,1-2H3,(H,32,34) QGOGGCVAVIUDDJ-UHFFFAOYSA-N 96853 SMR002354080::(3S,4aS)-1-[2-(1-cyclohexenyl)ethyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylic acid ethyl ester::MLS003674784::cid_53383840::ethyl (3S,4aS)-1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate::ethyl (3S,4aS)-1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate::(3S,4aS)-1-[2-(cyclohexen-1-yl)ethyl]-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 5917 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96853 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96853&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53383840 164038097 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210966 COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc4OCOc4c3)C1=CCC(C)(C)C2 |c:38| InChI=1S/C32H38N2O7/c1-31(2)13-11-27-32(19-31,30(37)39-4)17-23(16-28(35)33-14-12-22-7-5-6-8-24(22)38-3)29(36)34(27)18-21-9-10-25-26(15-21)41-20-40-25/h5-11,15,23H,12-14,16-20H2,1-4H3,(H,33,35) VAJSQJMOCPWEPG-UHFFFAOYSA-N 96854 methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6,6-dimethyl-2-oxo-3,4,5,7-tetrahydroquinoline-4a-carboxylate::(3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6,6-dimethyl-2-oxo-3,4,5,7-tetrahydroquinoline-4a-carboxylic acid methyl ester::methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-6,6-dimethyl-2-oxidanylidene-3,4,5,7-tetrahydroquinoline-4a-carboxylate::MLS003674940::SMR002354236::cid_53383948::(3S,4aR)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-6,6-dimethyl-1-piperonyl-3,4,5,7-tetrahydroquinoline-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 6931 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96854 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96854&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53383948 164038098 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210967 COc1ccccc1CCn1cnc(c1CC(C)C)-c1ccc(Cl)cc1 InChI=1S/C22H25ClN2O/c1-16(2)14-20-22(18-8-10-19(23)11-9-18)24-15-25(20)13-12-17-6-4-5-7-21(17)26-3/h4-11,15-16H,12-14H2,1-3H3 DWLWKWKERSPCJP-UHFFFAOYSA-N 96855 4-(4-chlorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole;2,2,2-trifluoroacetic acid::4-(4-chlorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole;2,2,2-tris(fluoranyl)ethanoic acid::cid_56588122::SMR002158046::4-(4-chlorophenyl)-5-isobutyl-1-(2-methoxyphenethyl)-1H-imidazole::MLS003510312::4-(4-chlorophenyl)-5-isobutyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 6546 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96855 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96855&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51049944 164038099 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210968 COc1ccccc1CCn1cnc(c1C(C)C)-c1ccccc1OC InChI=1S/C22H26N2O2/c1-16(2)22-21(18-10-6-8-12-20(18)26-4)23-15-24(22)14-13-17-9-5-7-11-19(17)25-3/h5-12,15-16H,13-14H2,1-4H3 ASXKPGPQXSHYIQ-UHFFFAOYSA-N 96856 SMR002158051::5-isopropyl-1-(2-methoxyphenethyl)-4-(2-methoxyphenyl)-1H-imidazole::cid_56588127::MLS003510317::4-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-propan-2-yl-imidazole;2,2,2-tris(fluoranyl)ethanoic acid::4-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid::5-isopropyl-4-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 3825 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96856 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96856&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51049949 164038100 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210969 COc1ccccc1CCn1cnc(c1CC(C)C)-c1ccc(Br)cc1 InChI=1S/C22H25BrN2O/c1-16(2)14-20-22(18-8-10-19(23)11-9-18)24-15-25(20)13-12-17-6-4-5-7-21(17)26-3/h4-11,15-16H,12-14H2,1-3H3 DJTRLRPGXLRICP-UHFFFAOYSA-N 96857 SMR002158064::4-(4-bromophenyl)-5-isobutyl-1-(2-methoxyphenethyl)-1H-imidazole::4-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole;2,2,2-tris(fluoranyl)ethanoic acid::MLS003510330::cid_56588138::4-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole;2,2,2-trifluoroacetic acid::4-(4-bromophenyl)-5-isobutyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 7083 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96857 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96857&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51049962 164038101 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210970 COc1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C29H31ClN4O4/c1-38-23-10-4-9-22(18-23)27(35)33-25(17-20-7-5-14-31-19-20)29(37)34-16-6-12-26(34)28(36)32-15-13-21-8-2-3-11-24(21)30/h2-5,7-11,14,18-19,25-26H,6,12-13,15-17H2,1H3,(H,32,36)(H,33,35) HVYVHBXKUUKUPW-UHFFFAOYSA-N 96858 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3-methoxybenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::cid_53361798::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(3-methoxyphenyl)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::MLS003777822::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3-methoxyphenyl)carbonylamino]-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR002440801::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(m-anisoylamino)-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 4576 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96858 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96858&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361799 164038102 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210971 Clc1ccc(cc1Cl)C(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C28H27Cl3N4O3/c29-21-7-2-1-6-19(21)11-13-33-27(37)25-8-4-14-35(25)28(38)24(15-18-5-3-12-32-17-18)34-26(36)20-9-10-22(30)23(31)16-20/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15H2,(H,33,37)(H,34,36) HWAOSFZZUKBRJT-UHFFFAOYSA-N 96859 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::SMR002440845::MLS003777865::cid_53361857::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorophenyl)carbonylamino]-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 2598 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96859 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96859&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361858 164038103 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210972 Clc1ccc(C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2Cl)c(Cl)c1 InChI=1S/C28H27Cl3N4O3/c29-20-9-10-21(23(31)16-20)26(36)34-24(15-18-5-3-12-32-17-18)28(38)35-14-4-8-25(35)27(37)33-13-11-19-6-1-2-7-22(19)30/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15H2,(H,33,37)(H,34,36) BWEHDLNHAQMHPJ-UHFFFAOYSA-N 96860 MLS003777870::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::cid_53361863::SMR002440850::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 2945 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96860 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96860&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361864 164038104 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210973 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1CC1)C1CCCCC1 InChI=1S/C25H34ClN3O3/c26-20-10-5-4-7-17(20)14-15-27-24(31)21-11-6-16-29(21)25(32)22(18-8-2-1-3-9-18)28-23(30)19-12-13-19/h4-5,7,10,18-19,21-22H,1-3,6,8-9,11-16H2,(H,27,31)(H,28,30) BEAIZLANBHGTQC-UHFFFAOYSA-N 96861 MLS003777871::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[[cyclopropyl(oxo)methyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide::SMR002440851::cid_53361865::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropanecarbonylamino)acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 8992 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96861 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96861&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361865 164038105 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210974 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 InChI=1S/C28H29ClN4O3/c29-23-12-5-4-9-21(23)14-16-31-27(35)25-13-7-17-33(25)28(36)24(18-20-8-6-15-30-19-20)32-26(34)22-10-2-1-3-11-22/h1-6,8-12,15,19,24-25H,7,13-14,16-18H2,(H,31,35)(H,32,34) PSNSAPRUHWVDBN-UHFFFAOYSA-N 96862 (2S)-1-[(2S)-2-benzamido-3-pyridin-3-yl-propanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR002440859::(2S)-1-[(2S)-2-benzamido-3-pyridin-3-ylpropanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::cid_53361873::(2S)-1-[(2S)-2-benzamido-1-oxo-3-(3-pyridinyl)propyl]-N-[2-(2-chlorophenyl)ethyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::MLS003777879::(2S)-1-[(2S)-2-benzamido-3-(3-pyridyl)propanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 5155 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96862 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96862&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361874 164038106 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210975 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CC1 InChI=1S/C25H29ClN4O3/c26-20-7-2-1-6-18(20)11-13-28-24(32)22-8-4-14-30(22)25(33)21(29-23(31)19-9-10-19)15-17-5-3-12-27-16-17/h1-3,5-7,12,16,19,21-22H,4,8-11,13-15H2,(H,28,32)(H,29,31) XQMWHEQBUCLZRX-UHFFFAOYSA-N 96863 MLS003777882::SMR002440862::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopropylcarbonylamino)-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::cid_53361877::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopropanecarbonylamino)-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[cyclopropyl(oxo)methyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopropanecarbonylamino)-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 13584 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96863 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96863&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361878 164038107 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210976 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccco1)c1ccccc1 InChI=1S/C26H26ClN3O4/c27-20-11-5-4-8-18(20)14-15-28-24(31)21-12-6-16-30(21)26(33)23(19-9-2-1-3-10-19)29-25(32)22-13-7-17-34-22/h1-5,7-11,13,17,21,23H,6,12,14-16H2,(H,28,31)(H,29,32) NPUJCNBGVJWDSG-UHFFFAOYSA-N 96864 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(furan-2-ylcarbonylamino)-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(furan-2-carbonylamino)-2-phenylacetyl]pyrrolidine-2-carboxamide::MLS003777883::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[2-furanyl(oxo)methyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide::SMR002440863::cid_53361879::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(2-furoylamino)-2-phenyl-acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens >29910 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96864 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96864&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361879 164038108 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210977 COc1cccc(c1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1 InChI=1S/C29H30ClN3O4/c1-37-23-13-7-12-22(19-23)27(34)32-26(21-10-3-2-4-11-21)29(36)33-18-8-15-25(33)28(35)31-17-16-20-9-5-6-14-24(20)30/h2-7,9-14,19,25-26H,8,15-18H2,1H3,(H,31,35)(H,32,34) PRGVDPCFXVVKFR-UHFFFAOYSA-N 96865 SMR002440865::MLS003777885::cid_53361881::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3-methoxybenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3-methoxyphenyl)carbonylamino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(3-methoxyphenyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(m-anisoylamino)-2-phenyl-acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 7359 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96865 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96865&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361881 164038109 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210978 Fc1ccc(c(F)c1)S(=O)(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1 InChI=1S/C27H26ClF2N3O4S/c28-21-10-5-4-7-18(21)14-15-31-26(34)23-11-6-16-33(23)27(35)25(19-8-2-1-3-9-19)32-38(36,37)24-13-12-20(29)17-22(24)30/h1-5,7-10,12-13,17,23,25,32H,6,11,14-16H2,(H,31,34) WCJHEFVHVOAPCF-UHFFFAOYSA-N 96866 SMR002440866::MLS003777886::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-2-phenylacetyl]pyrrolidine-2-carboxamide::cid_53361882::(2S)-1-[(2S)-2-[[2,4-bis(fluoranyl)phenyl]sulfonylamino]-2-phenyl-ethanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-2-phenyl-acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 5688 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96866 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96866&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361882 164038110 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210979 CCOC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C24H29ClN4O4/c1-2-33-24(32)28-20(15-17-7-5-12-26-16-17)23(31)29-14-6-10-21(29)22(30)27-13-11-18-8-3-4-9-19(18)25/h3-5,7-9,12,16,20-21H,2,6,10-11,13-15H2,1H3,(H,27,30)(H,28,32) VOEXKHILAZCPAB-UHFFFAOYSA-N 96867 SMR002440867::MLS003777887::cid_53361883::N-[(2S)-1-[(2S)-2-[[2-(2-chlorophenyl)ethylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-(3-pyridinyl)propan-2-yl]carbamic acid ethyl ester;2,2,2-trifluoroacetic acid::ethyl N-[(2S)-1-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate;2,2,2-trifluoroacetic acid::ethyl N-[(2S)-1-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]carbamate;2,2,2-tris(fluoranyl)ethanoic acid::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidino]-2-keto-1-(3-pyridylmethyl)ethyl]carbamic acid ethyl ester;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 8933 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96867 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96867&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361884 164038111 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210980 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1 InChI=1S/C27H33ClN4O3/c28-22-11-4-3-8-20(22)13-15-30-26(34)24-12-6-16-32(24)27(35)23(17-19-7-5-14-29-18-19)31-25(33)21-9-1-2-10-21/h3-5,7-8,11,14,18,21,23-24H,1-2,6,9-10,12-13,15-17H2,(H,30,34)(H,31,33) GQHHMHXXDJBGFA-UHFFFAOYSA-N 96868 cid_53361885::SMR002440868::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentylcarbonylamino)-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentanecarbonylamino)-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[cyclopentyl(oxo)methyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::MLS003777888::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentanecarbonylamino)-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 3721 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96868 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96868&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361886 164038112 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210981 CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1 InChI=1S/C24H28ClN3O4/c1-2-32-24(31)27-21(18-10-4-3-5-11-18)23(30)28-16-8-13-20(28)22(29)26-15-14-17-9-6-7-12-19(17)25/h3-7,9-12,20-21H,2,8,13-16H2,1H3,(H,26,29)(H,27,31) KOHGCRLJNZXDJH-UHFFFAOYSA-N 96869 ethyl N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]carbamate::SMR002440869::ethyl N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate::N-[(1S)-2-[(2S)-2-[[2-(2-chlorophenyl)ethylamino]-oxomethyl]-1-pyrrolidinyl]-2-oxo-1-phenylethyl]carbamic acid ethyl ester::cid_53361887::MLS003777889::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidino]-2-keto-1-phenyl-ethyl]carbamic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 6888 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96869 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96869&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361887 164038113 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210982 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 InChI=1S/C28H28ClN3O3/c29-23-15-8-7-10-20(23)17-18-30-27(34)24-16-9-19-32(24)28(35)25(21-11-3-1-4-12-21)31-26(33)22-13-5-2-6-14-22/h1-8,10-15,24-25H,9,16-19H2,(H,30,34)(H,31,33) RTTZXIJAYAHYSY-UHFFFAOYSA-N 96870 (2S)-1-[(2S)-2-benzamido-2-phenyl-ethanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::(2S)-1-[(2S)-2-benzamido-1-oxo-2-phenylethyl]-N-[2-(2-chlorophenyl)ethyl]-2-pyrrolidinecarboxamide::MLS003777891::SMR002440871::cid_53361889::(2S)-1-[(2S)-2-benzamido-2-phenylacetyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::(2S)-1-[(2S)-2-benzamido-2-phenyl-acetyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 5987 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96870 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96870&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361889 164038114 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210983 CCOC(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C24H34ClN3O4/c1-2-32-24(31)27-21(18-10-4-3-5-11-18)23(30)28-16-8-13-20(28)22(29)26-15-14-17-9-6-7-12-19(17)25/h6-7,9,12,18,20-21H,2-5,8,10-11,13-16H2,1H3,(H,26,29)(H,27,31) JTONSJUAPIKBHT-UHFFFAOYSA-N 96871 N-[(1S)-2-[(2S)-2-[[2-(2-chlorophenyl)ethylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]carbamic acid ethyl ester::cid_53361890::MLS003777892::ethyl N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate::SMR002440872::ethyl N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]carbamic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 2329 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96871 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96871&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361890 164038115 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210984 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)c1cccs1 InChI=1S/C26H27ClN4O3S/c27-20-8-2-1-7-19(20)11-13-29-24(32)22-9-4-14-31(22)26(34)21(16-18-6-3-12-28-17-18)30-25(33)23-10-5-15-35-23/h1-3,5-8,10,12,15,17,21-22H,4,9,11,13-14,16H2,(H,29,32)(H,30,33) TYDGSVXFBGIWNW-UHFFFAOYSA-N 96872 MLS003777893::cid_53361891::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-pyridin-3-yl-2-(thiophen-2-ylcarbonylamino)propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-pyridin-3-yl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::SMR002440873::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-(3-pyridyl)-2-(2-thenoylamino)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid Trace amine-associated receptor 1 Homo sapiens 14437 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96872 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96872&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361892 164038116 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210985 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 InChI=1S/C26H26ClN3O3S/c27-20-11-5-4-8-18(20)14-15-28-24(31)21-12-6-16-30(21)26(33)23(19-9-2-1-3-10-19)29-25(32)22-13-7-17-34-22/h1-5,7-11,13,17,21,23H,6,12,14-16H2,(H,28,31)(H,29,32) ARMMQBVRSSCQPV-UHFFFAOYSA-N 96873 cid_53361895::SMR002440875::MLS003777895::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-2-phenylethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(2-thenoylamino)acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 13846 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96873 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96873&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361895 164038117 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210986 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CC1CCCC1)c1ccccc1 InChI=1S/C28H34ClN3O3/c29-23-14-7-6-11-21(23)16-17-30-27(34)24-15-8-18-32(24)28(35)26(22-12-2-1-3-13-22)31-25(33)19-20-9-4-5-10-20/h1-3,6-7,11-14,20,24,26H,4-5,8-10,15-19H2,(H,30,34)(H,31,33) AMXGWCMJIJSVJQ-UHFFFAOYSA-N 96874 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide::SMR002440876::MLS003777896::cid_53361896::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(2-cyclopentylethanoylamino)-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-2-phenyl-acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 6569 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96874 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96874&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361896 164038118 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210987 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccs1)C1CCCCC1 InChI=1S/C26H32ClN3O3S/c27-20-11-5-4-8-18(20)14-15-28-24(31)21-12-6-16-30(21)26(33)23(19-9-2-1-3-10-19)29-25(32)22-13-7-17-34-22/h4-5,7-8,11,13,17,19,21,23H,1-3,6,9-10,12,14-16H2,(H,28,31)(H,29,32) XHLNJWXAKMPVEX-UHFFFAOYSA-N 96875 SMR002440878::MLS003777898::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-2-pyrrolidinecarboxamide::cid_53361898::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(2-thenoylamino)acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 10486 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96875 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96875&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361898 164038119 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210988 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1 InChI=1S/C26H37ClN4O4/c27-21-10-5-4-7-19(21)12-13-28-24(32)22-11-6-14-31(22)25(33)23(20-8-2-1-3-9-20)29-26(34)30-15-17-35-18-16-30/h4-5,7,10,20,22-23H,1-3,6,8-9,11-18H2,(H,28,32)(H,29,34) YNNMVTLJQCRCIA-UHFFFAOYSA-N 96876 N-[(1S)-2-[(2S)-2-[[2-(2-chlorophenyl)ethylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]-4-morpholinecarboxamide::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]morpholine-4-carboxamide::cid_53361900::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]morpholine-4-carboxamide::SMR002440880::MLS003777900::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]morpholine-4-carboxamide Trace amine-associated receptor 1 Homo sapiens 6349 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96876 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96876&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361900 164038120 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210989 Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1 InChI=1S/C29H30ClN3O3/c1-20-10-5-7-14-23(20)27(34)32-26(22-12-3-2-4-13-22)29(36)33-19-9-16-25(33)28(35)31-18-17-21-11-6-8-15-24(21)30/h2-8,10-15,25-26H,9,16-19H2,1H3,(H,31,35)(H,32,34) BSZANXVQBHWUHH-UHFFFAOYSA-N 96877 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylphenyl)carbonylamino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide::MLS003777904::SMR002440884::cid_53361906::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(o-toluoylamino)-2-phenyl-acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 7722 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96877 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96877&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361906 164038121 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210990 Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1 InChI=1S/C28H34ClN3O3/c29-23-15-8-7-10-20(23)17-18-30-27(34)24-16-9-19-32(24)28(35)25(21-11-3-1-4-12-21)31-26(33)22-13-5-2-6-14-22/h2,5-8,10,13-15,21,24-25H,1,3-4,9,11-12,16-19H2,(H,30,34)(H,31,33) NNGGLUYCNAGQGD-UHFFFAOYSA-N 96878 SMR002440888::MLS003777908::cid_53361910::(2S)-1-[(2S)-2-benzamido-2-cyclohexylacetyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::(2S)-1-[(2S)-2-benzamido-2-cyclohexyl-ethanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::(2S)-1-[(2S)-2-benzamido-2-cyclohexyl-1-oxoethyl]-N-[2-(2-chlorophenyl)ethyl]-2-pyrrolidinecarboxamide::(2S)-1-[(2S)-2-benzamido-2-cyclohexyl-acetyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 5036 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96878 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96878&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361910 164038122 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210991 COc1cccc(c1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C29H36ClN3O4/c1-37-23-13-7-12-22(19-23)27(34)32-26(21-10-3-2-4-11-21)29(36)33-18-8-15-25(33)28(35)31-17-16-20-9-5-6-14-24(20)30/h5-7,9,12-14,19,21,25-26H,2-4,8,10-11,15-18H2,1H3,(H,31,35)(H,32,34) YDRQWUMLHHXGJM-UHFFFAOYSA-N 96879 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[(3-methoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[[(3-methoxyphenyl)-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[(3-methoxyphenyl)carbonylamino]ethanoyl]pyrrolidine-2-carboxamide::cid_53361912::SMR002440890::MLS003777910::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(m-anisoylamino)acetyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 6659 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96879 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96879&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361912 164038123 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210992 CC(C)[C@H](NC(=O)c1ccccc1C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C26H32ClN3O3/c1-17(2)23(29-24(31)20-11-6-4-9-18(20)3)26(33)30-16-8-13-22(30)25(32)28-15-14-19-10-5-7-12-21(19)27/h4-7,9-12,17,22-23H,8,13-16H2,1-3H3,(H,28,32)(H,29,31) NRSIZGKCNKDCDN-UHFFFAOYSA-N 96880 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide::cid_53361914::SMR002440892::MLS003777912::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 3150 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96880 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96880&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361914 164038124 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210993 CC(C)[C@H](NC(=O)CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C25H36ClN3O3/c1-17(2)23(28-22(30)16-18-8-3-4-9-18)25(32)29-15-7-12-21(29)24(31)27-14-13-19-10-5-6-11-20(19)26/h5-6,10-11,17-18,21,23H,3-4,7-9,12-16H2,1-2H3,(H,27,31)(H,28,30) FCFDPSCKFGQQDP-UHFFFAOYSA-N 96881 cid_53361920::SMR002440898::MLS003777918::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(2-cyclopentylethanoylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 4004 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96881 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96881&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361920 164038125 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210994 CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C24H34ClN3O3/c1-16(2)21(27-22(29)18-9-3-4-10-18)24(31)28-15-7-12-20(28)23(30)26-14-13-17-8-5-6-11-19(17)25/h5-6,8,11,16,18,20-21H,3-4,7,9-10,12-15H2,1-2H3,(H,26,30)(H,27,29) VOKWUQZRQWNKGW-UHFFFAOYSA-N 96882 cid_53361921::SMR002440899::MLS003777919::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentylcarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[cyclopentyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentanecarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 3799 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96882 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96882&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361921 164038126 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210995 CC(C)[C@H](NC(=O)C1CC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C22H30ClN3O3/c1-14(2)19(25-20(27)16-9-10-16)22(29)26-13-5-8-18(26)21(28)24-12-11-15-6-3-4-7-17(15)23/h3-4,6-7,14,16,18-19H,5,8-13H2,1-2H3,(H,24,28)(H,25,27) NVSUMWQFZLTACH-UHFFFAOYSA-N 96883 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[cyclopropyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::cid_53361922::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide::MLS003777920::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopropylcarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxamide::SMR002440900::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopropanecarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 3182 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96883 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96883&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361922 164038127 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210996 COc1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C26H32ClN3O4/c1-17(2)23(29-24(31)19-9-6-10-20(16-19)34-3)26(33)30-15-7-12-22(30)25(32)28-14-13-18-8-4-5-11-21(18)27/h4-6,8-11,16-17,22-23H,7,12-15H2,1-3H3,(H,28,32)(H,29,31) MSQBJXBMKWYQBP-UHFFFAOYSA-N 96884 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(3-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::cid_53361925::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3-methoxybenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide::MLS003777923::SMR002440903::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(m-anisoylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 2217 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96884 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96884&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361925 164038128 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210997 CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C25H28Cl3N3O3/c1-15(2)22(30-23(32)17-9-10-19(27)20(28)14-17)25(34)31-13-5-8-21(31)24(33)29-12-11-16-6-3-4-7-18(16)26/h3-4,6-7,9-10,14-15,21-22H,5,8,11-13H2,1-2H3,(H,29,33)(H,30,32) CKUPHHILFUTXSL-UHFFFAOYSA-N 96885 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorophenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide::cid_53361926::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::MLS003777924::SMR002440904::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 1530 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96885 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96885&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361926 164038129 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210998 CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C25H28Cl3N3O3/c1-15(2)22(30-23(32)18-10-9-17(26)14-20(18)28)25(34)31-13-5-8-21(31)24(33)29-12-11-16-6-3-4-7-19(16)27/h3-4,6-7,9-10,14-15,21-22H,5,8,11-13H2,1-2H3,(H,29,33)(H,30,32) GXJHYLYWEHQYQI-UHFFFAOYSA-N 96886 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide::SMR002440905::cid_53361927::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide::MLS003777925::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 3471 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96886 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96886&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361927 164038130 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 210999 CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C25H30ClN3O3/c1-17(2)22(28-23(30)19-10-4-3-5-11-19)25(32)29-16-8-13-21(29)24(31)27-15-14-18-9-6-7-12-20(18)26/h3-7,9-12,17,21-22H,8,13-16H2,1-2H3,(H,27,31)(H,28,30) DLGLYNFXMPAUDA-UHFFFAOYSA-N 96887 SMR002440906::(2S)-1-[(2S)-2-benzamido-3-methyl-1-oxobutyl]-N-[2-(2-chlorophenyl)ethyl]-2-pyrrolidinecarboxamide::(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::cid_53361928::MLS003777926::(2S)-1-[(2S)-2-benzamido-3-methyl-butanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 1200 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96887 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96887&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361928 164038131 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211000 CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl InChI=1S/C24H28ClF2N3O4S/c1-15(2)22(29-35(33,34)21-10-9-17(26)14-19(21)27)24(32)30-13-5-8-20(30)23(31)28-12-11-16-6-3-4-7-18(16)25/h3-4,6-7,9-10,14-15,20,22,29H,5,8,11-13H2,1-2H3,(H,28,31) HDMQPYABMQUTEH-UHFFFAOYSA-N 96888 SMR002440908::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-3-methylbutanoyl]pyrrolidine-2-carboxamide::cid_53361930::MLS003777928::(2S)-1-[(2S)-2-[[2,4-bis(fluoranyl)phenyl]sulfonylamino]-3-methyl-butanoyl]-N-[2-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 4654 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96888 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96888&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53361930 164038132 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211001 C(c1ccccc1)c1cnc(nc1)N1CCNCC1 InChI=1S/C15H18N4/c1-2-4-13(5-3-1)10-14-11-17-15(18-12-14)19-8-6-16-7-9-19/h1-5,11-12,16H,6-10H2 MWMUMWHCKAQCQM-UHFFFAOYSA-N 96889 MLS003777949::cid_53305546::5-(phenylmethyl)-2-(1-piperazinyl)pyrimidine::SMR002440929::5-(phenylmethyl)-2-piperazin-1-yl-pyrimidine::5-benzyl-2-piperazin-1-ylpyrimidine::5-benzyl-2-piperazino-pyrimidine Trace amine-associated receptor 1 Homo sapiens >29940 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96889 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96889&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 53305546 164038133 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211002 CC(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)c1ccccc1 InChI=1S/C28H31N7O6/c1-15(17-10-6-3-7-11-17)13-30-24(38)18(12-16-8-4-2-5-9-16)32-26(40)22-20(36)21(37)27(41-22)35-14-31-19-23(35)33-28(29)34-25(19)39/h2-11,14-15,18,20-22,27,36-37H,12-13H2,1H3,(H,30,38)(H,32,40)(H3,29,33,34,39) ZIOGNFUMCXVLMW-UHFFFAOYSA-N 96890 (2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(2-phenylpropylamino)propan-2-yl]-2-oxolanecarboxamide::(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(2-phenylpropylamino)propan-2-yl]oxolane-2-carboxamide::cid_56588155::MLS003863993::SMR002520935::(2S,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)-N-[(2R)-1-oxidanylidene-3-phenyl-1-(2-phenylpropylamino)propan-2-yl]oxolane-2-carboxamide::(2S,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-N-[(1R)-1-benzyl-2-keto-2-(2-phenylpropylamino)ethyl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 15241 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96890 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96890&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56588155 164038134 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211003 CC(CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)c1ccccc1 InChI=1S/C19H22N6O5/c1-9(10-5-3-2-4-6-10)7-21-17(29)14-12(26)13(27)18(30-14)25-8-22-11-15(25)23-19(20)24-16(11)28/h2-6,8-9,12-14,18,26-27H,7H2,1H3,(H,21,29)(H3,20,23,24,28) WAKOKJAXIAXPRX-UHFFFAOYSA-N 96891 (2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-N-(2-phenylpropyl)-2-oxolanecarboxamide::cid_56588174::(2S,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)-N-(2-phenylpropyl)oxolane-2-carboxamide::(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-N-(2-phenylpropyl)oxolane-2-carboxamide::SMR002520954::MLS003864012::(2S,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-N-(2-phenylpropyl)tetrahydrofuran-2-carboxamide Trace amine-associated receptor 1 Homo sapiens 3769 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96891 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96891&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56588174 164038135 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211004 COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc4OCOc4c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C |c:38| InChI=1S/C38H42N2O9/c1-25-38(37(43)45-3)20-29(18-35(41)39-16-15-28-11-7-8-12-31(28)44-2)36(42)40(21-27-13-14-32-33(17-27)48-24-47-32)34(38)19-30(49-25)23-46-22-26-9-5-4-6-10-26/h4-14,17,19,25,29-30H,15-16,18,20-24H2,1-3H3,(H,39,41) LUDMEYLYEKOCRL-UHFFFAOYSA-N 96892 MLS003812904::(3R,4aR,5R,7R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::methyl (3R,4aR,5R,7R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-2-oxidanylidene-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::SMR002481859::methyl (3R,4aR,5R,7R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::cid_56589281::(3R,4aR,5R,7R)-7-(benzoxymethyl)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-1-piperonyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 11500 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96892 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96892&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56589281 164038136 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211005 CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2([C@@H](C)O[C@H](C=C12)C(C)(C)C)C(=O)OC |t:33| InChI=1S/C34H52N2O6/c1-8-9-10-11-12-15-20-36-28-22-29(33(3,4)5)42-24(2)34(28,32(39)41-7)23-26(31(36)38)21-30(37)35-19-18-25-16-13-14-17-27(25)40-6/h13-14,16-17,22,24,26,29H,8-12,15,18-21,23H2,1-7H3,(H,35,37) DCQOKFYUWPAURR-UHFFFAOYSA-N 96893 (3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-1-octyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::SMR002481883::cid_56589305::methyl (3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-1-octyl-2-oxidanylidene-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::methyl (3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-1-octyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::MLS003812928::(3R,4aR,5R,7R)-7-tert-butyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-1-octyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 6934 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96893 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96893&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56589305 164038137 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211006 CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2([C@@H](C)O[C@H](C=C12)C1CCCC1)C(=O)OC |t:33| InChI=1S/C35H52N2O6/c1-5-6-7-8-9-14-21-37-31-23-30(26-15-10-11-16-26)43-25(2)35(31,34(40)42-4)24-28(33(37)39)22-32(38)36-20-19-27-17-12-13-18-29(27)41-3/h12-13,17-18,23,25-26,28,30H,5-11,14-16,19-22,24H2,1-4H3,(H,36,38) DFWJZSSFEOTGFR-UHFFFAOYSA-N 96894 cid_56589328::methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-1-octyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::SMR002481907::MLS003812952::methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-1-octyl-2-oxidanylidene-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::(3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-1-octyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::(3R,4aR,5R,7S)-7-cyclopentyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-1-octyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 8540 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96894 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96894&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56589328 164038138 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 211007 COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=C[C@@H](O[C@@H]2C)C(C)(C)C |c:34| InChI=1S/C33H42N2O6/c1-22-33(31(38)40-6)20-25(18-29(36)34-17-16-24-14-10-11-15-26(24)39-5)30(37)35(21-23-12-8-7-9-13-23)27(33)19-28(41-22)32(2,3)4/h7-15,19,22,25,28H,16-18,20-21H2,1-6H3,(H,34,36) ZWOOGKOJFCFNJF-UHFFFAOYSA-N 96895 cid_56589351::SMR002481931::(3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-1-(phenylmethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::MLS003812976::methyl (3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::methyl (3R,4aR,5R,7R)-1-benzyl-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::(3R,4aR,5R,7R)-1-benzyl-7-tert-butyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 7346 PubChem 10.7270/Q280517J aid686984 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96895 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96895&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56589351 164038139 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1