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 212186 COc1ccc(cc1)-c1cc(no1)C(=O)NCC(C)C InChI=1S/C15H18N2O3/c1-10(2)9-16-15(18)13-8-14(20-17-13)11-4-6-12(19-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18) SBNKOYMOIIQUCV-UHFFFAOYSA-N 96896 cid_3240709::5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide::SMR000023271::MLS000087048::5-(4-methoxyphenyl)-N-(2-methylpropyl)-3-isoxazolecarboxamide::N-isobutyl-5-(4-methoxyphenyl)isoxazole-3-carboxamide Trace amine-associated receptor 1 Homo sapiens >29909 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96896 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96896&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3240709 164038140 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212187 CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc12 InChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21) DGONAYXBQVRJIF-UHFFFAOYSA-N 96897 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea::cid_3243427::N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)-N'-pyridin-2-ylurea::MLS000093564::1-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)-3-pyridin-2-yl-urea::SMR000029182::1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(2-pyridinyl)urea::1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-3-(2-pyridyl)urea Trace amine-associated receptor 1 Homo sapiens 5800 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96897 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96897&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3243427 164038141 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212188 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)NCCc2ccccc2)C1=O |c:5,TLB:9:8:2:6.5,THB:25:7:2:6.5| 96898 SMR000033523::MLS000047512::3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)propanamide::cid_3243722 Trace amine-associated receptor 1 Homo sapiens >29916 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96898 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96898&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3243722 164038142 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212189 COC(=O)c1oc2CCCC3(SCCS3)c2c1C InChI=1S/C13H16O3S2/c1-8-10-9(16-11(8)12(14)15-2)4-3-5-13(10)17-6-7-18-13/h3-7H2,1-2H3 RKYQEGBHYNXNKE-UHFFFAOYSA-N 96899 methyl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate::cid_1248737::3'-methyl-2'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]carboxylic acid methyl ester::methyl 3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolane]-2-carboxylate::MLS000066906::SMR000079524::3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 1094 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96899 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96899&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1248737 164038143 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212190 CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 InChI=1S/C22H27N3O4S/c1-2-3-6-21(26)23-18-9-7-17(8-10-18)22(27)24-19-11-13-20(14-12-19)30(28,29)25-15-4-5-16-25/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27) HDMKUPXHGNTSEK-UHFFFAOYSA-N 96900 MLS000050100::4-(pentanoylamino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide::SMR000077149::4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide::4-(1-oxopentylamino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide::cid_2957591::N-(4-pyrrolidinosulfonylphenyl)-4-(valerylamino)benzamide Trace amine-associated receptor 1 Homo sapiens 763.48 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96900 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96900&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2957591 164038144 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212191 COc1cccc(c1)-c1nn(cc1C(=O)Nc1nccs1)-c1ccccc1 InChI=1S/C20H16N4O2S/c1-26-16-9-5-6-14(12-16)18-17(19(25)22-20-21-10-11-27-20)13-24(23-18)15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22,25) UCFKRZQSCSCSKJ-UHFFFAOYSA-N 57007 MLS000097082::3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide::cid_2201062::3-(3-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide::SMR000075756::3-(3-methoxyphenyl)-1-phenyl-N-(2-thiazolyl)-4-pyrazolecarboxamide::3-(3-methoxyphenyl)-1-phenyl-N-thiazol-2-yl-pyrazole-4-carboxamide Trace amine-associated receptor 1 Homo sapiens 4716 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57007 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57007&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2201062 252636946 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212192 COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Cl InChI=1S/C17H14ClNO4/c1-21-14-9-12(15(22-2)8-11(14)18)19-17(20)16-7-10-5-3-4-6-13(10)23-16/h3-9H,1-2H3,(H,19,20) RITDXXBMPCGLFR-UHFFFAOYSA-N 96901 SMR000105631::MLS000109691::N-(4-chloro-2,5-dimethoxyphenyl)-2-benzofurancarboxamide::cid_725646::N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-benzofuran-2-carboxamide::N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide::N-(4-chloro-2,5-dimethoxy-phenyl)coumarilamide Trace amine-associated receptor 1 Homo sapiens 3975 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96901 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96901&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 725646 164038145 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212193 Cc1cc(\C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1F |(3.08,-3.66,;4.54,-3.19,;5.02,-1.72,;6.56,-1.72,;7.47,-.48,;6.84,.93,;5.31,1.09,;3.78,1.25,;7.74,2.18,;9.28,2.01,;7.12,3.58,;8.02,4.83,;7.4,6.24,;8.17,7.57,;7.14,8.71,;5.73,8.09,;5.89,6.56,;7.04,-3.19,;8.5,-3.66,;5.79,-4.09,;5.79,-5.63,;7.12,-6.4,;7.12,-7.94,;5.79,-8.71,;4.46,-7.94,;4.46,-6.4,;3.12,-5.63,)| InChI=1S/C21H18FN3OS/c1-14-10-16(15(2)25(14)20-8-4-3-7-19(20)22)11-17(12-23)21(26)24-13-18-6-5-9-27-18/h3-11H,13H2,1-2H3,(H,24,26) YUVZHFNSYKQLIJ-UHFFFAOYSA-N 96902 (E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide::(E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-thiophen-2-ylmethyl-acrylamide::cid_1405179::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide::SMR000147552::MLS000556235::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-thenyl)acrylamide Trace amine-associated receptor 1 Homo sapiens 3748 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96902 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96902&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1405179 164038146 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212194 Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1 InChI=1S/C19H12ClF3N4O2S/c1-10-8-29-18(25-10)27-16(28)9-30-17-13(7-24)14(19(21,22)23)6-15(26-17)11-2-4-12(20)5-3-11/h2-6,8H,9H2,1H3,(H,25,27,28) YLFDFLSUQXOFSR-UHFFFAOYSA-N 63039 SMR000143664::2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-oxazol-2-yl)ethanamide::cid_1301870::2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methyl-2-oxazolyl)acetamide::2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-oxazol-2-yl)acetamide::MLS000537027::2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio}-N-(4-methyl-1,3-oxazol-2-yl)acetamide::2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-(4-methyloxazol-2-yl)acetamide Trace amine-associated receptor 1 Homo sapiens 39.54 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=63039 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=63039&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1301870 252642155 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212195 Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccccc2Cl)cc1 InChI=1S/C26H19ClF5N3O2/c1-13-25(14(2)35(34-13)11-17-20(28)22(30)24(32)23(31)21(17)29)33-26(36)16-9-7-15(8-10-16)12-37-19-6-4-3-5-18(19)27/h3-10H,11-12H2,1-2H3,(H,33,36) IXASRNWCNRRYJE-UHFFFAOYSA-N 96903 4-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]benzamide::4-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]benzamide::cid_1767835::4-[(2-chloranylphenoxy)methyl]-N-[3,5-dimethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]pyrazol-4-yl]benzamide::4-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]benzamide::MLS000545496::SMR000160229::4-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)pyrazol-4-yl]benzamide Trace amine-associated receptor 1 Homo sapiens 277.27 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96903 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96903&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1767835 164038147 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212196 Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(C)cc1 |w:5.4| InChI=1S/C19H19N5O2/c1-13-4-6-17(7-5-13)23-14(2)10-16(15(23)3)11-21-22-19-9-8-18(12-20-19)24(25)26/h4-10,12H,11H2,1-3H3 TYAXNNANFWEBGJ-UHFFFAOYSA-N 48687 N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-nitropyridin-2-amine::cid_4516862::MLS000552475::N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-pyridin-2-amine::N-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]-5-nitro-2-pyridinamine::N-[1-(2,5-Dimethyl-1-p-tolyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-N'-(5-nitro-pyridin-2-yl)-hydrazine::SMR000145990::[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-(5-nitro-2-pyridyl)amine::[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-(5-nitro-2-pyridyl)amine Trace amine-associated receptor 1 Homo sapiens 190.97 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=48687 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=48687&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91896768 252628974 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212197 Cc1cccc(c1)C(C#N)c1nc2ccccc2nc1C(F)(F)F InChI=1S/C18H12F3N3/c1-11-5-4-6-12(9-11)13(10-22)16-17(18(19,20)21)24-15-8-3-2-7-14(15)23-16/h2-9,13H,1H3 KBSMMFJXDNUTJH-UHFFFAOYSA-N 96905 SMR000170189::cid_3850578::2-(3-methylphenyl)-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethanenitrile::2-(3-methylphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile::MLS000326018::2-(3-methylphenyl)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetonitrile::2-(m-tolyl)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetonitrile Trace amine-associated receptor 1 Homo sapiens 1582 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96905 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96905&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3850578 164038149 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212198 Cc1cc(C=NNC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 |w:5.5| InChI=1S/C22H26Cl2N4O2/c1-14-10-16(15(2)28(14)18-8-9-19(23)20(24)11-18)13-25-27-22(30)12-21(29)26-17-6-4-3-5-7-17/h8-11,13,17H,3-7,12H2,1-2H3,(H,26,29)(H,27,30) ABFWCJHIHKBIMJ-UHFFFAOYSA-N 96906 N-cyclohexyl-N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide::N-cyclohexyl-N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]propanediamide::N-cyclohexyl-N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]propanediamide::MLS000553312::cid_6161144::N-Cyclohexyl-2-[1-(3,4-dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene-hydrazinocarbonyl]-acetamide::SMR000177447::N-cyclohexyl-N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]malonamide Trace amine-associated receptor 1 Homo sapiens 915 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96906 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96906&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6161144 164038150 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212199 Clc1ccc(cc1)C(=O)Nc1ccccc1OC(=O)c1ccc(Cl)cc1 InChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24) KDSBZHUJTOUSRK-UHFFFAOYSA-N 75479 2-[(4-chlorobenzoyl)amino]phenyl 4-chlorobenzoate::SMR000184459::[2-[(4-chlorophenyl)carbonylamino]phenyl] 4-chloranylbenzoate::cid_1375607::4-chlorobenzoic acid [2-[[(4-chlorophenyl)-oxomethyl]amino]phenyl] ester::MLS000573208::[2-[(4-chlorobenzoyl)amino]phenyl] 4-chlorobenzoate::4-chlorobenzoic acid [2-[(4-chlorobenzoyl)amino]phenyl] ester Trace amine-associated receptor 1 Homo sapiens 7961 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75479 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75479&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1375607 252652687 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212200 CSC(=S)NN=Cc1c[nH]c2ccccc12 |w:5.4| InChI=1S/C11H11N3S2/c1-16-11(15)14-13-7-8-6-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3,(H,14,15) MQILUGFUDMJLIX-UHFFFAOYSA-N 96907 MLS000332556::methyl N-[[(Z)-indol-3-ylidenemethyl]amino]carbamodithioate::cid_6538175::SMR000221755::N'-[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-hydrazinecarbodithioic acid methyl ester::N-[[(Z)-3-indolylidenemethyl]amino]carbamodithioic acid methyl ester::N-[[(Z)-indol-3-ylidenemethyl]amino]carbamodithioic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 2599 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96907 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96907&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6538175 164038151 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212201 Fc1ccccc1CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12 InChI=1S/C24H19F3N2OS/c25-18-8-3-1-6-16(18)15-31-22-14-29(21-11-4-2-7-17(21)22)13-12-28-24(30)23-19(26)9-5-10-20(23)27/h1-11,14H,12-13,15H2,(H,28,30) XQIPXGBPLYVWAO-UHFFFAOYSA-N 96908 2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide::2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide::SMR000237372::MLS000696939::cid_5129679::2,6-bis(fluoranyl)-N-[2-[3-[(2-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide::2,6-difluoro-N-[2-[3-[(2-fluorobenzyl)thio]indol-1-yl]ethyl]benzamide Trace amine-associated receptor 1 Homo sapiens 3491 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96908 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96908&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5129679 164038152 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212202 CC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3[N+]([O-])=O)o2)cc1 InChI=1S/C20H16N2O6/c1-13(23)14-6-8-15(9-7-14)21-20(24)19-11-10-16(28-19)12-27-18-5-3-2-4-17(18)22(25)26/h2-11H,12H2,1H3,(H,21,24) BLRXOTSKXPWMML-UHFFFAOYSA-N 96909 N-(4-acetylphenyl)-5-[(2-nitrophenoxy)methyl]-2-furancarboxamide::N-(4-ethanoylphenyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide::SMR000227779::MLS000700078::N-(4-acetylphenyl)-5-({2-nitrophenoxy}methyl)-2-furamide::cid_1225514::N-(4-acetylphenyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide::N-(4-acetylphenyl)-5-[(2-nitrophenoxy)methyl]-2-furamide Trace amine-associated receptor 1 Homo sapiens 204.84 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96909 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96909&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1225514 164038153 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212203 NC(=O)COc1cccc(\C=N\NC(=O)c2ccc(cc2)-n2cccc2)c1 InChI=1S/C20H18N4O3/c21-19(25)14-27-18-5-3-4-15(12-18)13-22-23-20(26)16-6-8-17(9-7-16)24-10-1-2-11-24/h1-13H,14H2,(H2,21,25)(H,23,26) POHFOKYIFJGGSS-UHFFFAOYSA-N 96910 MLS000580837::SMR000220310::2-{3-[(4-Pyrrol-1-yl-benzoyl)-hydrazonomethyl]-phenoxy}-acetamide::N-[(E)-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide::N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide::cid_6889206::N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-(1-pyrrolyl)benzamide::N-[(E)-[3-(2-amino-2-keto-ethoxy)benzylidene]amino]-4-pyrrol-1-yl-benzamide Trace amine-associated receptor 1 Homo sapiens >1108 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96910 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96910&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6889206 164038154 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212204 Cc1ccc(\C=N\NC(=O)c2ccccc2OCc2cccc(Br)c2)o1 InChI=1S/C20H17BrN2O3/c1-14-9-10-17(26-14)12-22-23-20(24)18-7-2-3-8-19(18)25-13-15-5-4-6-16(21)11-15/h2-12H,13H2,1H3,(H,23,24) XJPBPQNKLVQFOI-UHFFFAOYSA-N 96911 2-[(3-bromobenzyl)oxy]-N'-[(1E)-(5-methyl-2-furyl)methylene]benzohydrazide::2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide::2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methyl-2-furanyl)methylideneamino]benzamide::MLS000723745::cid_46497982::SMR000305340::2-(3-bromobenzyl)oxy-N-[(E)-(5-methyl-2-furyl)methyleneamino]benzamide Trace amine-associated receptor 1 Homo sapiens 3687 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96911 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96911&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 46497982 164038155 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212205 CN1CCN(CC1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1 InChI=1S/C23H22FN5/c1-27-11-13-28(14-12-27)22-21-20(17-5-3-2-4-6-17)15-29(23(21)26-16-25-22)19-9-7-18(24)8-10-19/h2-10,15-16H,11-14H2,1H3 BULMODKVYZUWGQ-UHFFFAOYSA-N 96912 7-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine::7-(4-fluorophenyl)-4-(4-methyl-1-piperazinyl)-5-phenylpyrrolo[2,3-d]pyrimidine::SMR000310960::7-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine::cid_1522618::MLS000622033::7-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine::7-(4-fluorophenyl)-4-(4-methylpiperazino)-5-phenyl-pyrrolo[2,3-d]pyrimidine Trace amine-associated receptor 1 Homo sapiens 3167 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96912 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96912&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1522618 164038156 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212206 CCOC(=O)C1CCCN(C1)c1c(cnc2ccc(OC)cc12)C(=O)c1ccccc1 InChI=1S/C25H26N2O4/c1-3-31-25(29)18-10-7-13-27(16-18)23-20-14-19(30-2)11-12-22(20)26-15-21(23)24(28)17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15,18H,3,7,10,13,16H2,1-2H3 RPXDUOBDXQGUDN-UHFFFAOYSA-N 96913 cid_16195141::1-(3-benzoyl-6-methoxy-4-quinolinyl)-3-piperidinecarboxylic acid ethyl ester::ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-3-carboxylate::ethyl 1-[6-methoxy-3-(phenylcarbonyl)quinolin-4-yl]piperidine-3-carboxylate::SMR000339740::MLS000686677::1-(3-benzoyl-6-methoxy-4-quinolyl)nipecotic acid ethyl ester Trace amine-associated receptor 1 Homo sapiens 4057 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96913 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96913&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16195141 164038157 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212207 CCNC(=S)NN=Cc1cc(C)n(c1C)-c1ccc(Cl)cc1 |w:6.5| InChI=1S/C16H19ClN4S/c1-4-18-16(22)20-19-10-13-9-11(2)21(12(13)3)15-7-5-14(17)6-8-15/h5-10H,4H2,1-3H3,(H2,18,20,22) ZLCZLOPVTKAENK-UHFFFAOYSA-N 96914 1-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-ethylthiourea::1-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea::cid_6904296::SMR000385529::1-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-ethylthiourea::MLS001033073::1-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea Trace amine-associated receptor 1 Homo sapiens 1125 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96914 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96914&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6904296 164038158 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212208 CCCC(=O)Nc1ccc(cc1)-c1csc(N=NCc2ccncc2)n1 |w:16.16| InChI=1S/C19H19N5OS/c1-2-3-18(25)22-16-6-4-15(5-7-16)17-13-26-19(23-17)24-21-12-14-8-10-20-11-9-14/h4-11,13H,2-3,12H2,1H3,(H,22,25) XSFBLHGGLUAISN-UHFFFAOYSA-N 96915 cid_44655640::N-[4-(2-{N'-[1-Pyridin-4-yl-meth-(E)-ylidene]-hydrazino}-thiazol-4-yl)-phenyl]-butyramide::SMR000433680::MLS000768946::N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide::N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-4-thiazolyl]phenyl]butanamide;hydrobromide::N-[4-[2-[(N'Z)-N'-(4-pyridylmethylene)hydrazino]thiazol-4-yl]phenyl]butyramide;hydrobromide Trace amine-associated receptor 1 Homo sapiens 9301 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96915 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96915&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91899619 164038159 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212209 CCOCCOc1cccc(c1)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C24H25NO3/c1-2-27-16-17-28-22-15-9-14-21(18-22)24(26)25-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,23H,2,16-17H2,1H3,(H,25,26) IOBGPMVGLTXCDH-UHFFFAOYSA-N 96916 cid_2982577::MLS001000420::N-(diphenylmethyl)-3-(2-ethoxyethoxy)benzamide::SMR000498485::N-benzhydryl-3-(2-ethoxyethoxy)benzamide Trace amine-associated receptor 1 Homo sapiens 10543 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96916 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96916&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2982577 164038160 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212210 Brc1ccccc1OCc1ccc(cc1)C(=O)Nc1cccnc1 InChI=1S/C19H15BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-16-4-3-11-21-12-16/h1-12H,13H2,(H,22,23) PSVOOKIMKLMWIJ-UHFFFAOYSA-N 96917 SMR000559240::MLS001198301::cid_1239651::4-[(2-bromophenoxy)methyl]-N-(3-pyridinyl)benzamide::4-[(2-bromanylphenoxy)methyl]-N-pyridin-3-yl-benzamide::4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide::4-[(2-bromophenoxy)methyl]-N-(3-pyridyl)benzamide Trace amine-associated receptor 1 Homo sapiens 4175 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96917 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96917&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1239651 164038161 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212211 Fc1cccc(CSCCC(=O)NCCc2ccccc2)c1 InChI=1S/C18H20FNOS/c19-17-8-4-7-16(13-17)14-22-12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21) LPCDHKVGSCAZLV-UHFFFAOYSA-N 96918 SMR000564464::3-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)propanamide::MLS001200870::3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide::cid_5055551::3-[(3-fluorophenyl)methylthio]-N-(2-phenylethyl)propanamide::3-[(3-fluorobenzyl)thio]-N-phenethyl-propionamide Trace amine-associated receptor 1 Homo sapiens 7426 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96918 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96918&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5055551 164038162 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212212 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C27H30N4O6/c1-18(2)13-21(27(35)37-16-20-11-7-4-8-12-20)31-26(34)24-23(29-17-30-24)25(33)28-14-22(32)36-15-19-9-5-3-6-10-19/h3-12,17-18,21H,13-16H2,1-2H3,(H,28,33)(H,29,30)(H,31,34) KRLKAHWTOUBUEI-UHFFFAOYSA-N 96919 (2S)-4-methyl-2-[[oxo-[5-[oxo-[(2-oxo-2-phenylmethoxyethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester::ILP-III-40::MLS000849543::SMR000642025::(phenylmethyl) (2S)-4-methyl-2-[[5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate::cid_24789280::benzyl (2S)-4-methyl-2-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]pentanoate::(2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid benzyl ester Trace amine-associated receptor 1 Homo sapiens 4321 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96919 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96919&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24789280 164038163 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212213 Cc1ccccc1N(C(C(=O)NC1CCCCC1)c1ccc(O)cc1)C(=O)c1snc(C(N)=O)c1N InChI=1S/C26H29N5O4S/c1-15-7-5-6-10-19(15)31(26(35)23-20(27)21(24(28)33)30-36-23)22(16-11-13-18(32)14-12-16)25(34)29-17-8-3-2-4-9-17/h5-7,10-14,17,22,32H,2-4,8-9,27H2,1H3,(H2,28,33)(H,29,34) NZLQCZRUIUGBQR-UHFFFAOYSA-N 96920 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-{[cyclohexylcarbamoyl-(4-hydroxy-phenyl)-methyl]-o-tolyl-amide}::4-amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(2-methylphenyl)isothiazole-3,5-dicarboxamide::4-azanyl-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]-N5-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide::SMR000599753::cid_3177673::4-amino-5-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide::MLS001217688::4-amino-N'-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-keto-ethyl]-N'-(o-tolyl)isothiazole-3,5-dicarboxamide Trace amine-associated receptor 1 Homo sapiens 3163 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96920 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96920&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3177673 164038164 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212214 CCCOC(=O)c1c(oc2ccc(cc12)-c1ccc(OC)nc1)-c1ccc(OC)cc1 InChI=1S/C25H23NO5/c1-4-13-30-25(27)23-20-14-17(18-8-12-22(29-3)26-15-18)7-11-21(20)31-24(23)16-5-9-19(28-2)10-6-16/h5-12,14-15H,4,13H2,1-3H3 XNALBZAKYSASAR-UHFFFAOYSA-N 96921 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-3-benzofurancarboxylic acid propyl ester::cid_24818794::MLS001249932::propyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)-1-benzofuran-3-carboxylate::SMR000685900::propyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)benzofuran-3-carboxylate::2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridyl)benzofuran-3-carboxylic acid propyl ester Trace amine-associated receptor 1 Homo sapiens 873.32 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96921 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96921&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24818794 164038165 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212215 CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1OCC(=O)Nc1cccc(c1)C(F)(F)F InChI=1S/C25H21F4N3O4/c1-32(14-22(33)30-19-9-5-7-17(26)13-19)24(35)20-10-2-3-11-21(20)36-15-23(34)31-18-8-4-6-16(12-18)25(27,28)29/h2-13H,14-15H2,1H3,(H,30,33)(H,31,34) ZKWNOZIFVDDCHO-UHFFFAOYSA-N 96922 MLS001138753::SMR000705641::N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide::cid_24980219::N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]benzamide::N-[2-(3-fluoroanilino)-2-keto-ethyl]-2-[2-keto-2-[3-(trifluoromethyl)anilino]ethoxy]-N-methyl-benzamide Trace amine-associated receptor 1 Homo sapiens 6895 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96922 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96922&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24980219 164038166 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212216 COc1ccc2oc(C(=O)OCC(=O)NCc3ccccc3OC)c(C)c2c1 InChI=1S/C21H21NO6/c1-13-16-10-15(25-2)8-9-18(16)28-20(13)21(24)27-12-19(23)22-11-14-6-4-5-7-17(14)26-3/h4-10H,11-12H2,1-3H3,(H,22,23) CRYCPJOEPBZGDD-UHFFFAOYSA-N 96923 cid_24686216::[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate::SMR000715705::MLS001140057::[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate::5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester::5-methoxy-3-methyl-coumarilic acid [2-keto-2-(o-anisylamino)ethyl] ester Trace amine-associated receptor 1 Homo sapiens 6653 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96923 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96923&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 24686216 164038167 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212217 Fc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1 InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)7-8-18-15(20)5-6-16(21)19-9-11-22-12-10-19/h1-4H,5-12H2,(H,18,20) AFFJSLKSDZCMNA-UHFFFAOYSA-N 96924 cid_25162571::N-[2-(4-fluorophenyl)ethyl]-4-(4-morpholinyl)-4-oxobutanamide::N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide::MLS002182684::SMR001271714::N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxidanylidene-butanamide::N-[2-(4-fluorophenyl)ethyl]-4-keto-4-morpholino-butyramide Trace amine-associated receptor 1 Homo sapiens 14799 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96924 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96924&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 25162571 164038168 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212218 Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)c(Br)c1 |w:17.17| InChI=1S/C20H17Br2N3O2/c1-13-9-17(21)19(18(22)10-13)27-12-14-4-6-15(7-5-14)20(26)25-24-11-16-3-2-8-23-16/h2-11,23H,12H2,1H3,(H,25,26) OKCDKESLNZVCFU-UHFFFAOYSA-N 66994 4-[(2,6-dibromo-4-methylphenoxy)methyl]-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide::4-[(2,6-dibromo-4-methylphenoxy)methyl]-N'-[(Z)-2-pyrrolylidenemethyl]benzohydrazide::4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide::cid_6508428::SMR001243507::MLS002161081::4-[(2,6-dibromo-4-methyl-phenoxy)methyl]-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide Trace amine-associated receptor 1 Homo sapiens 973 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66994 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66994&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 6508428 252645305 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212219 Cc1ccc(CSCC(=O)Nc2cc(ccc2OCC(F)(F)F)S(=O)(=O)N2CCOCC2)cc1 InChI=1S/C22H25F3N2O5S2/c1-16-2-4-17(5-3-16)13-33-14-21(28)26-19-12-18(6-7-20(19)32-15-22(23,24)25)34(29,30)27-8-10-31-11-9-27/h2-7,12H,8-11,13-15H2,1H3,(H,26,28) BWDXXFYLFJLISK-UHFFFAOYSA-N 96925 MLS002182285::2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide::2-[(4-methylphenyl)methylthio]-N-[5-(4-morpholinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]acetamide::cid_25163212::SMR001271315::2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide::2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide Trace amine-associated receptor 1 Homo sapiens 1248 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96925 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96925&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 25163212 164038169 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212220 COc1ccc(cc1)-c1c(C#Cc2ccsc2)c2cc(ccc2n1C)-c1ccc(cc1)C(N)=O InChI=1S/C29H22N2O2S/c1-31-27-14-10-23(20-4-6-22(7-5-20)29(30)32)17-26(27)25(13-3-19-15-16-34-18-19)28(31)21-8-11-24(33-2)12-9-21/h4-12,14-18H,1-2H3,(H2,30,32) PHIBWBXSTIGLIN-UHFFFAOYSA-N 96926 SMR001355555::4-[2-(4-methoxyphenyl)-1-methyl-3-[2-(3-thiophenyl)ethynyl]-5-indolyl]benzamide::MLS002391590::cid_44142428::4-[2-(4-methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indol-5-yl]benzamide::4-[2-(4-methoxyphenyl)-1-methyl-3-[2-(3-thienyl)ethynyl]indol-5-yl]benzamide Trace amine-associated receptor 1 Homo sapiens 233.02 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96926 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96926&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 44142428 164038170 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212221 [O-][N+](=O)c1ccc(cc1)-c1c(ncc2ccc(F)cc12)-c1ccccc1 InChI=1S/C21H13FN2O2/c22-17-9-6-16-13-23-21(15-4-2-1-3-5-15)20(19(16)12-17)14-7-10-18(11-8-14)24(25)26/h1-13H MARAMZAUIOXFDZ-UHFFFAOYSA-N 96927 MLS002391743::6-fluoranyl-4-(4-nitrophenyl)-3-phenyl-isoquinoline::SMR001355708::cid_44142561::6-fluoro-4-(4-nitrophenyl)-3-phenylisoquinoline::6-fluoro-4-(4-nitrophenyl)-3-phenyl-isoquinoline Trace amine-associated receptor 1 Homo sapiens 1834 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96927 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96927&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 44142561 164038171 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212222 [O-][N+](=O)c1ccc(cc1)-c1c(ncc2cc(F)ccc12)-c1ccccc1 InChI=1S/C21H13FN2O2/c22-17-8-11-19-16(12-17)13-23-21(15-4-2-1-3-5-15)20(19)14-6-9-18(10-7-14)24(25)26/h1-13H MMUZIYUYLFUFQO-UHFFFAOYSA-N 96928 cid_44142568::7-fluoranyl-4-(4-nitrophenyl)-3-phenyl-isoquinoline::MLS002391750::SMR001355715::7-fluoro-4-(4-nitrophenyl)-3-phenylisoquinoline::7-fluoro-4-(4-nitrophenyl)-3-phenyl-isoquinoline Trace amine-associated receptor 1 Homo sapiens 4765 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96928 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96928&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 44142568 164038172 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212223 Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14| InChI=1S/C25H21BrClNO4S/c1-16-2-12-21(13-3-16)33(31,32)28-23(17-6-10-20(27)11-7-17)15-14-22(25(29)30)24(28)18-4-8-19(26)9-5-18/h2-14,23-24H,15H2,1H3,(H,29,30) HEROAMGCEAQMJM-UHFFFAOYSA-N 96929 MLS002554514::SMR001475809::(2S,6S)-6-(4-bromophenyl)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid::cid_44263516::(2S,6S)-6-(4-bromophenyl)-2-(4-chlorophenyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Trace amine-associated receptor 1 Homo sapiens 1624 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96929 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96929&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 44263516 164038173 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212224 COc1ccc(cc1)-n1nnnc1C(C1CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O InChI=1S/C24H27N7O2/c1-33-19-10-8-18(9-11-19)31-23(26-27-28-31)22(16-6-7-16)29-14-12-17(13-15-29)30-21-5-3-2-4-20(21)25-24(30)32/h2-5,8-11,16-17,22H,6-7,12-15H2,1H3,(H,25,32) SULSWVACLAPEIX-UHFFFAOYSA-N 87547 3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one::3-[1-[cyclopropyl-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one::MLS003315674::cid_51360334::3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one::SMR001994809::3-[1-[cyclopropyl-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-piperidyl]-1H-benzimidazol-2-one Trace amine-associated receptor 1 Homo sapiens >9963 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=87547 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=87547&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 51360334 252659940 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1 212225 COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br InChI=1S/C16H18BrN3O3/c1-10-15-13(9-14(21)22-2)18-19-20(15)7-8-23-16(10)11-5-3-4-6-12(11)17/h3-6,10,16H,7-9H2,1-2H3 KJRCJRSCHYTGLO-UHFFFAOYSA-N 96930 cid_56588566::SMR002515619::methyl 2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetrahydro-[1,2,3]triazolo[1,5-d][1,4]oxazepin-3-yl]ethanoate::methyl 2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetrahydrotriazolo[1,5-d][1,4]oxazepin-3-yl]acetate::MLS003842904::2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetrahydrotriazolo[1,5-d][1,4]oxazepin-3-yl]acetic acid methyl ester Trace amine-associated receptor 1 Homo sapiens 1278 PubChem 10.7270/Q2BR8QSB aid686994 PubChem, PC 5/21/2013 6/21/2013 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96930 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004101&target=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=96930&enzyme=Trace+amine-associated+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 56588566 164038174 1 MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS 8JSO,8JLR,8JLQ,8JLP,8JLO,8JLN,8ZSS,8ZSP,8ZSJ,8WCA,8WC8,8W8A,8W89,8W88,8W87 Trace amine-associated receptor 1 TAAR1_HUMAN Q96RJ0 Q2M1W5 Q3MIH8 Q5VUQ1