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 149310 O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 InChI=1S/C18H20N2O4S2/c21-25(22,19-15-7-8-15)16-9-11-17(12-10-16)26(23,24)20-13-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,9-12,15,19H,3,5,7-8,13H2 NDSGBWBSYKPKKT-UHFFFAOYSA-N 79792 MLS000033134::SMR000003730::cid_645771::N-Cyclopropyl-4-(3,4-dihydro-2H-quinoline-1-sulfonyl)-benzenesulfonamide::N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 6713 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79792 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79792&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 645771 252656437 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149311 Cc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)N1CCOCC1 InChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23) AELDAMOGYZQRRC-UHFFFAOYSA-N 79793 SMR000010089::3-Methyl-benzofuran-2-carboxylic acid (4-morpholin-4-yl-phenyl)-amide::3-methyl-N-[4-(4-morpholinyl)phenyl]-2-benzofurancarboxamide::cid_647689::3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide::MLS000035891::3-methyl-N-(4-morpholinophenyl)coumarilamide Orexin/Hypocretin receptor type 1 Homo sapiens 276.96 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79793 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79793&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 647689 252656438 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149312 O=C(Nc1cccc(NC(=O)N2CCN(CC2)c2ccccc2)c1)N1CCN(CC1)c1ccccc1 InChI=1S/C28H32N6O2/c35-27(33-18-14-31(15-19-33)25-10-3-1-4-11-25)29-23-8-7-9-24(22-23)30-28(36)34-20-16-32(17-21-34)26-12-5-2-6-13-26/h1-13,22H,14-21H2,(H,29,35)(H,30,36) LHPDDBGADQDQLZ-UHFFFAOYSA-N 38795 SMR000008895::cid_647933::4-phenyl-N-[3-[(4-phenylpiperazin-1-yl)carbonylamino]phenyl]piperazine-1-carboxamide::MLS000068850::N-[3-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]phenyl]-4-phenyl-1-piperazinecarboxamide::4-phenyl-N-[3-[(4-phenylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 10402 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38795 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38795&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 647933 252619700 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149313 [#8]-c1ccccc1-c1csc(n1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 InChI=1S/C16H5N2OS/c17-9-13(11-5-1-2-6-11)16-18-14(10-20-16)12-7-3-4-8-15(12)19/h3-4,7-8,10H RBGXGJZSBCKEMB-UHFFFAOYSA-N 79794 cid_649354::2-cyclopentylidene-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]ethanenitrile::2-cyclopentylidene-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]acetonitrile::SMR000012931::MLS000034824::2-cyclopentylidene-2-[4-(2-hydroxyphenyl)-2-thiazolyl]acetonitrile::Cyclopentylidene-[4-(2-hydroxy-phenyl)-thiazol-2-yl]-acetonitrile::2-cyclopentylidene-2-[4-(2-hydroxyphenyl)thiazol-2-yl]acetonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 6326 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79794 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79794&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 649354 252656439 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149314 COc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1 InChI=1S/C26H26N4O3/c1-31-21-9-7-20(8-10-21)23-17-24-27-22(19-5-3-2-4-6-19)18-25(30(24)28-23)29-13-11-26(12-14-29)32-15-16-33-26/h2-10,17-18H,11-16H2,1H3 RGSXJCBSMXDJGZ-UHFFFAOYSA-N 37361 8-[2-(4-Methoxy-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-aza-spiro[4.5]decane::8-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::SMR000008501::MLS000035341::8-[2-(4-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane::cid_650554::8-[2-(4-methoxyphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane Orexin/Hypocretin receptor type 1 Homo sapiens 5703 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37361 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37361&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 650554 252618332 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149315 CCN1C(C)=C(C)S\C1=C1/SC(=S)N(CC)C1=O |t:4| InChI=1S/C12H16N2OS3/c1-5-13-7(3)8(4)17-11(13)9-10(15)14(6-2)12(16)18-9/h5-6H2,1-4H3 MVYAHKHKRGDCQD-UHFFFAOYSA-N 79795 MLS000073078::(5Z)-3-ethyl-5-(3-ethyl-4,5-dimethyl-2-thiazolylidene)-2-sulfanylidene-4-thiazolidinone::(Z)-3,3'-Diethyl-4,5-dimethyl-2'-thioxo-2',3'-dihydro-3H-[2,5']bithiazolyliden-4'-one::cid_1896271::SMR000001108::(5Z)-3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-3-ethyl-5-(3-ethyl-4,5-dimethyl-4-thiazolin-2-ylidene)-2-thioxo-thiazolidin-4-one Orexin/Hypocretin receptor type 1 Homo sapiens 3149 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79795 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79795&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1896271 252656440 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149316 O=C(N1CCCC(C1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1)c1ccco1 InChI=1S/C25H24N4O5S/c30-25(22-9-5-15-33-22)29-14-4-8-20(17-29)24-27-23(28-34-24)19-10-12-21(13-11-19)35(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,20,26H,4,8,14,16-17H2 ZPIQTKFMNQCPAX-UHFFFAOYSA-N 79796 4-[5-[1-(furan-2-ylcarbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-(phenylmethyl)benzenesulfonamide::N-Benzyl-4-{5-[1-(furan-2-carbonyl)-piperidin-3-yl]-[1,2,4]oxadiazol-3-yl}-benzenesulfonamide::N-benzyl-4-[5-[1-(furan-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide::MLS000076315::4-[5-[1-[2-furanyl(oxo)methyl]-3-piperidinyl]-1,2,4-oxadiazol-3-yl]-N-(phenylmethyl)benzenesulfonamide::SMR000007479::cid_655414::N-benzyl-4-[5-[1-(2-furoyl)-3-piperidyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 8738 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79796 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79796&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 655414 252656441 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149317 CN1C(=O)C2(N=c3ccccc3=N2)c2ccccc12 |c:12,t:5| InChI=1S/C15H11N3O/c1-18-13-9-5-2-6-10(13)15(14(18)19)16-11-7-3-4-8-12(11)17-15/h2-9H,1H3 HRECINZTPLTEQH-UHFFFAOYSA-N 79797 1'-methyl-2'-spiro[benzimidazole-2,3'-indole]one::cid_659228::1'-methylspiro[benzimidazole-2,3'-indole]-2'-one::MLS000028276::SMR000040251::1'-methylspiro[benzimidazole-2,3'-indoline]-2'-one Orexin/Hypocretin receptor type 1 Homo sapiens 3219 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79797 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79797&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 659228 252656442 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149318 Oc1ccccc1-c1nc(NCC2CCCO2)c2ccccc2n1 InChI=1S/C19H19N3O2/c23-17-10-4-2-8-15(17)19-21-16-9-3-1-7-14(16)18(22-19)20-12-13-6-5-11-24-13/h1-4,7-10,13,23H,5-6,11-12H2,(H,20,21,22) PHPIKMLQXFBRGD-UHFFFAOYSA-N 79798 cid_5389465::(6E)-6-[4-(oxolan-2-ylmethylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one::SMR000042733::(6E)-6-[4-(2-oxolanylmethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone::MLS000081004::(6E)-6-[4-(tetrahydrofurfurylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Orexin/Hypocretin receptor type 1 Homo sapiens 3726 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79798 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79798&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5389465 252656443 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149319 COc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1 InChI=1S/C16H12N4OS/c1-21-13-9-7-12(8-10-13)15-19-20-14(17-18-16(20)22-15)11-5-3-2-4-6-11/h2-10H,1H3 OYYTYUQHNVLXFT-UHFFFAOYSA-N 79799 cid_662977::MLS000037130::SMR000035806::6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Orexin/Hypocretin receptor type 1 Homo sapiens 2440 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79799 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79799&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 662977 252656444 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149320 CNc1oc(nc1C#N)-c1cccc2ccccc12 InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3 DYXYXTDIFMDJIR-UHFFFAOYSA-N 79800 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile::cid_664510::SMR000045344::5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbonitrile::MLS000082299::5-(methylamino)-2-(1-naphthyl)oxazole-4-carbonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 887.47 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79800 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79800&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 664510 252656445 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149321 Nc1nc(cc(-c2cccs2)c1C#N)-c1ccccn1 InChI=1S/C15H10N4S/c16-9-11-10(14-5-3-7-20-14)8-13(19-15(11)17)12-4-1-2-6-18-12/h1-8H,(H2,17,19) FFEJFANQEWTRBW-UHFFFAOYSA-N 79801 MLS000082832::2-amino-6-(2-pyridinyl)-4-thiophen-2-yl-3-pyridinecarbonitrile::cid_665499::SMR000046564::2-amino-6-pyridin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile::2-azanyl-6-pyridin-2-yl-4-thiophen-2-yl-pyridine-3-carbonitrile::2-amino-6-(2-pyridyl)-4-(2-thienyl)nicotinonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 4738 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79801 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79801&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 665499 252656446 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149322 COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N InChI=1S/C13H13N3O3S2/c1-16-10(14)9(21-13(16)20)11(17)15-8-6-4-3-5-7(8)12(18)19-2/h3-6H,14H2,1-2H3,(H,15,17) BGIZQPMUHKCJQO-UHFFFAOYSA-N 34288 methyl 2-[(4-amino-3-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate::cid_665848::SMR000047021::MLS000083486::methyl 2-[(4-azanyl-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)carbonylamino]benzoate::2-[[(4-amino-3-methyl-2-sulfanylidene-5-thiazolyl)-oxomethyl]amino]benzoic acid methyl ester::2-[(4-amino-3-methyl-2-thioxo-4-thiazoline-5-carbonyl)amino]benzoic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 406.83 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34288 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34288&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 665848 252616962 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149323 O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1 InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2 AKUDASUHMBZVPZ-UHFFFAOYSA-N 38923 (2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate::(2-oxooxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate::MLS000096514::cid_2997660::SMR000062409::5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (2-oxo-3-oxolanyl) ester::5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (2-ketotetrahydrofuran-3-yl) ester Orexin/Hypocretin receptor type 1 Homo sapiens 1976 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38923 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38923&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2997660 252619824 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149324 Cc1ccnc2ccc(cc12)-c1nc2ccccc2o1 InChI=1S/C17H12N2O/c1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15-4-2-3-5-16(15)20-17/h2-10H,1H3 WBTCERKLDKQMFI-UHFFFAOYSA-N 76350 2-(4-methylquinolin-6-yl)-1,3-benzoxazole::cid_2421435::2-(4-methyl-6-quinolinyl)-1,3-benzoxazole::SMR000062685::MLS000082030::2-(4-methyl-6-quinolyl)-1,3-benzoxazole Orexin/Hypocretin receptor type 1 Homo sapiens 1105 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76350 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76350&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2421435 252653529 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149325 N#C\[#6](=[#6]-1/[#16]-[#6]=[#6]-[#16]-1)-c1nc(cs1)-c1ccccc1 |c:5| InChI=1S/C14H6N2S3/c15-8-11(14-17-6-7-18-14)13-16-12(9-19-13)10-4-2-1-3-5-10/h1-5,9H UWDPHWNZLQXPHQ-UHFFFAOYSA-N 79802 MLS000098006::2-(1,3-dithiol-2-ylidene)-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile::2-(1,3-dithiol-2-ylidene)-2-(4-phenyl-1,3-thiazol-2-yl)ethanenitrile::2-(1,3-dithiol-2-ylidene)-2-(4-phenyl-2-thiazolyl)acetonitrile::cid_2312882::SMR000065652::2-(1,3-dithiol-2-ylidene)-2-(4-phenylthiazol-2-yl)acetonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 749.05 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79802 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79802&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2312882 252656447 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149326 COC(=O)c1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 InChI=1S/C19H21N3O5S/c1-27-18(26)13-8-4-5-9-14(13)20-16(24)11-28-19-21-15(23)10-17(25)22(19)12-6-2-3-7-12/h4-5,8-10,12,23H,2-3,6-7,11H2,1H3,(H,20,24) AVKCHYMKYJVLNX-UHFFFAOYSA-N 79803 methyl 2-[2-(1-cyclopentyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl)sulfanylethanoylamino]benzoate::methyl 2-[[2-(1-cyclopentyl-6-hydroxy-4-oxopyrimidin-2-yl)sulfanylacetyl]amino]benzoate::SMR000067168::cid_2079613::2-[[2-[(1-cyclopentyl-6-hydroxy-4-oxo-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester::MLS000056065::2-[[2-[(1-cyclopentyl-6-hydroxy-4-keto-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 136.75 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79803 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79803&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2079613 252656448 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149327 Cc1noc(C)c1COC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 InChI=1S/C20H15NO6S/c1-11-16(12(2)27-21-11)10-26-20(23)13-7-8-15-18(9-13)28(24,25)17-6-4-3-5-14(17)19(15)22/h3-9H,10H2,1-2H3 MTCDQQWJRCDICU-UHFFFAOYSA-N 79804 MLS000098705::9,10,10-trioxo-3-thioxanthenecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester::cid_2124414::(3,5-dimethyl-1,2-oxazol-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate::(3,5-dimethyl-1,2-oxazol-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate::SMR000063751::9,10,10-triketothioxanthene-3-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 1202 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79804 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79804&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2124414 252656449 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149328 N#CC(C1=NCCC1)c1nc(cs1)-c1ccccc1 |t:3| InChI=1S/C15H13N3S/c16-9-12(13-7-4-8-17-13)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-8H2 HQJVPJMROGJKFH-UHFFFAOYSA-N 79805 cid_2998560::(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylidene-ethanenitrile::MLS000048730::SMR000060418::(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile::(2Z)-2-(4-phenyl-2-thiazolyl)-2-(2-pyrrolidinylidene)acetonitrile::(2Z)-2-(4-phenylthiazol-2-yl)-2-pyrrolidin-2-ylidene-acetonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 2436 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79805 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79805&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 78488905 252656450 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149329 Nn1c(nc2sc3CCCCc3c2c1=O)-c1cccs1 InChI=1S/C14H13N3OS2/c15-17-12(10-6-3-7-19-10)16-13-11(14(17)18)8-4-1-2-5-9(8)20-13/h3,6-7H,1-2,4-5,15H2 PUOFENAWFXNNIH-UHFFFAOYSA-N 68461 3-azanyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one::3-amino-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one::SMR000061127::MLS000054555::cid_943152::3-amino-2-(2-thienyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Orexin/Hypocretin receptor type 1 Homo sapiens 2978 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68461 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68461&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 943152 252646637 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149330 CCn1c(C)nc2cc(ccc12)-c1nc2-c3ccccc3Cn2n1 InChI=1S/C19H17N5/c1-3-23-12(2)20-16-10-13(8-9-17(16)23)18-21-19-15-7-5-4-6-14(15)11-24(19)22-18/h4-10H,3,11H2,1-2H3 LKXRGCHIXZTUBX-UHFFFAOYSA-N 38935 MLS000054270::2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole::SMR000066223::2-(1-ethyl-2-methyl-benzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole::2-(1-ethyl-2-methyl-5-benzimidazolyl)-5H-[1,2,4]triazolo[5,1-a]isoindole::cid_2347892::2-(1-ethyl-2-methyl-benzimidazol-5-yl)-5H-[1,2,4]triazol[5,1-a]isoindole Orexin/Hypocretin receptor type 1 Homo sapiens 2691 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38935 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38935&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2347892 252619836 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149331 Cc1cnc(NC(=O)c2ccc(o2)-c2nc3ccccc3s2)s1 InChI=1S/C16H11N3O2S2/c1-9-8-17-16(22-9)19-14(20)11-6-7-12(21-11)15-18-10-4-2-3-5-13(10)23-15/h2-8H,1H3,(H,17,19,20) OZZZSNYSAXZKLG-UHFFFAOYSA-N 48553 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide::MLS000056472::SMR000067829::cid_2555366::5-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-thiazolyl)-2-furancarboxamide::5-(1,3-benzothiazol-2-yl)-N-(5-methylthiazol-2-yl)-2-furamide Orexin/Hypocretin receptor type 1 Homo sapiens 333.48 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=48553 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=48553&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2555366 252628844 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149332 CCn1c(C)cs\c1=N/C(=O)c1ccccc1O InChI=1S/C13H14N2O2S/c1-3-15-9(2)8-18-13(15)14-12(17)10-6-4-5-7-11(10)16/h4-8,16H,3H2,1-2H3 MIJZDGIXNWSXRQ-UHFFFAOYSA-N 42709 N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-oxidanyl-benzamide::SMR000024496::cid_3238416::N-(3-ethyl-4-methyl-2-thiazolylidene)-2-hydroxybenzamide::N-[(2E)-3-ethyl-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-hydroxybenzamide::N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-hydroxybenzamide::MLS000089878::N-(3-ethyl-4-methyl-4-thiazolin-2-ylidene)-2-hydroxy-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 2694 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=42709 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=42709&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3238416 252623401 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149333 O=c1sc(Nc2ccccc2)nc2ccsc12 InChI=1S/C12H8N2OS2/c15-11-10-9(6-7-16-10)14-12(17-11)13-8-4-2-1-3-5-8/h1-7H,(H,13,14) SPBAOJXNJONGSC-UHFFFAOYSA-N 79806 MLS000044848::2-anilino-4H-thieno[3,2-d][1,3]thiazin-4-one::2-phenylazanylthieno[3,2-d][1,3]thiazin-4-one::cid_3239546::SMR000022958::2-anilino-4-thieno[3,2-d][1,3]thiazinone::2-anilinothieno[3,2-d][1,3]thiazin-4-one Orexin/Hypocretin receptor type 1 Homo sapiens 2428 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79806 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79806&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3239546 252656451 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149334 CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1 InChI=1S/C14H9N3OS4/c1-19-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-20-9/h2-6H,1H3,(H,15,17,18) CSRRIYMZCVJAAV-UHFFFAOYSA-N 40970 SMR000024211::cid_3244010::N-[2-(methylthio)-7-thiazolo[4,5-g][1,3]benzothiazolyl]-2-thiophenecarboxamide::N-[7-(methylthio)[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]thiophene-2-carboxamide::MLS000087892::N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)thiophene-2-carboxamide::N-[2-(methylthio)thiazolo[4,5-g][1,3]benzothiazol-7-yl]thiophene-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 846.08 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40970 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40970&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3244010 252621749 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149335 COc1cccc(c1)-c1cc(no1)C(=O)Nc1ccccc1SC InChI=1S/C18H16N2O3S/c1-22-13-7-5-6-12(10-13)16-11-15(20-23-16)18(21)19-14-8-3-4-9-17(14)24-2/h3-11H,1-2H3,(H,19,21) JCZCHJNFGCTGQF-UHFFFAOYSA-N 37086 5-(3-methoxyphenyl)-N-[2-(methylthio)phenyl]-3-isoxazolecarboxamide::SMR000023299::MLS000087076::cid_3244400::5-(3-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide::5-(3-methoxyphenyl)-N-[2-(methylthio)phenyl]isoxazole-3-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 1912 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37086 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37086&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3244400 252618057 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149336 C=CCNc1nc(nc(n1)-n1ccnc1)N(c1ccccc1)c1ccccc1 InChI=1S/C21H19N7/c1-2-13-23-19-24-20(27-15-14-22-16-27)26-21(25-19)28(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,14-16H,1,13H2,(H,23,24,25,26) XNMNTOFNEHOCDS-UHFFFAOYSA-N 79807 N'-allyl-6-(1H-imidazol-1-yl)-N,N-diphenyl-1,3,5-triazine-2,4-diamine::cid_3244597::6-(1-imidazolyl)-N4,N4-diphenyl-N2-prop-2-enyl-1,3,5-triazine-2,4-diamine::6-imidazol-1-yl-N4,N4-diphenyl-N2-prop-2-enyl-1,3,5-triazine-2,4-diamine::6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine::SMR000027675::MLS000045718::[4-(allylamino)-6-imidazol-1-yl-s-triazin-2-yl]-diphenyl-amine Orexin/Hypocretin receptor type 1 Homo sapiens 6466 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79807 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79807&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3244597 252656452 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149337 COc1ccc(cc1O)-c1nc2ccccc2s1 InChI=1S/C14H11NO2S/c1-17-12-7-6-9(8-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3 BWCLPNGLALERQB-UHFFFAOYSA-N 79808 MLS000063598::cid_976322::SMR000075200::5-(1,3-benzothiazol-2-yl)-2-methoxyphenol::5-(1,3-benzothiazol-2-yl)-2-methoxy-phenol Orexin/Hypocretin receptor type 1 Homo sapiens 3250 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79808 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79808&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 976322 252656453 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149338 CSc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(F)cc2)c1 InChI=1S/C19H21FN2O3S2/c1-26-17-6-2-5-16(12-17)21-19(23)14-4-3-11-22(13-14)27(24,25)18-9-7-15(20)8-10-18/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,21,23) YHNMXXKQLSIUHU-UHFFFAOYSA-N 79809 1-[(4-fluorophenyl)sulfonyl]-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide::1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide::SMR000082570::MLS000052769::cid_2983047::1-(4-fluorophenyl)sulfonyl-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide::1-(4-fluorophenyl)sulfonyl-N-[3-(methylthio)phenyl]nipecotamide Orexin/Hypocretin receptor type 1 Homo sapiens 1594 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79809 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79809&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2983047 252656454 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149339 Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1 InChI=1S/C16H13N3O/c1-11-6-9-15(17-10-11)19-16(20)14-8-7-12-4-2-3-5-13(12)18-14/h2-10H,1H3,(H,17,19,20) QOBXTKFDZSBUOW-UHFFFAOYSA-N 49263 MLS000062670::SMR000071207::N-(5-methyl-2-pyridinyl)-2-quinolinecarboxamide::cid_797352::N-(5-methylpyridin-2-yl)quinoline-2-carboxamide::N-(5-methyl-2-pyridyl)quinaldamide Orexin/Hypocretin receptor type 1 Homo sapiens 1640 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49263 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49263&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 797352 252629544 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149340 CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1cnccn1 InChI=1S/C24H23N7OS/c1-3-30-20-8-6-5-7-17(20)18-13-16(9-10-21(18)30)27-22(32)15-33-24-29-28-23(31(24)4-2)19-14-25-11-12-26-19/h5-14H,3-4,15H2,1-2H3,(H,27,32) FZQRSOXVSAENKX-UHFFFAOYSA-N 40064 N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::cid_2218748::SMR000078572::N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(9-ethyl-9H-carbazol-3-yl)-2-{[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide::MLS000050877::N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 54.78 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40064 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40064&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2218748 252620894 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149341 CCN(CC)c1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 InChI=1S/C20H22N2O2/c1-4-22(5-2)16-10-11-17(14(3)12-16)21-20(23)19-13-15-8-6-7-9-18(15)24-19/h6-13H,4-5H2,1-3H3,(H,21,23) KCBDFPPSMORIIJ-UHFFFAOYSA-N 79810 MLS000050101::N-[4-(diethylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide::N-[4-(diethylamino)-2-methylphenyl]-2-benzofurancarboxamide::N-[4-(diethylamino)-2-methyl-phenyl]-1-benzofuran-2-carboxamide::cid_952835::SMR000077150::N-[4-(diethylamino)-2-methyl-phenyl]coumarilamide Orexin/Hypocretin receptor type 1 Homo sapiens 2434 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79810 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79810&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 952835 252656455 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149342 CCOC(=O)c1c(C)nc2c3ccccc3ccn12 InChI=1S/C15H14N2O2/c1-3-19-15(18)13-10(2)16-14-12-7-5-4-6-11(12)8-9-17(13)14/h4-9H,3H2,1-2H3 LQOBCPWHDVTSJV-UHFFFAOYSA-N 79811 SMR000070167::ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate::MLS000061298::2-methyl-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester::cid_749132::2-methylimidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 3625 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79811 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79811&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 749132 252656456 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149343 c1ccc2oc(nc2c1)-c1ccc2ccccc2n1 InChI=1S/C16H10N2O/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/h1-10H LEYACHSFIUEDPZ-UHFFFAOYSA-N 39018 2-quinolin-2-yl-1,3-benzoxazole::2-(1,3-benzoxazol-2-yl)quinoline::2-(2-quinolinyl)-1,3-benzoxazole::SMR000069536::MLS000059165::cid_723043::2-(2-quinolyl)-1,3-benzoxazole Orexin/Hypocretin receptor type 1 Homo sapiens 954 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=39018 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=39018&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 723043 252619917 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149344 Cn1c2ccc(Cl)cc2c2nc3ccccc3nc12 InChI=1S/C15H10ClN3/c1-19-13-7-6-9(16)8-10(13)14-15(19)18-12-5-3-2-4-11(12)17-14/h2-8H,1H3 NXJNINUNSFIGJN-UHFFFAOYSA-N 79812 SMR000091878::MLS000114502::9-chloro-6-methylindolo[3,2-b]quinoxaline::9-chloranyl-6-methyl-indolo[3,2-b]quinoxaline::cid_3155707::9-chloro-6-methyl-indolo[3,2-b]quinoxaline Orexin/Hypocretin receptor type 1 Homo sapiens 1126 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79812 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79812&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3155707 252656457 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149345 O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc21 InChI=1S/C23H21N5O3S/c29-22(27-15-14-26-18-9-2-1-8-17(18)25-23(26)27)19-10-5-13-28(19)32(30,31)20-11-3-6-16-7-4-12-24-21(16)20/h1-4,6-9,11-12,19H,5,10,13-15H2 QNEZKPVRJPTWRI-UHFFFAOYSA-N 79813 cid_5308655::SMR000096011::1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(8-quinolinylsulfonyl)-2-pyrrolidinyl]methanone::MLS000119072::1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone::1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(8-quinolylsulfonyl)pyrrolidin-2-yl]methanone Orexin/Hypocretin receptor type 1 Homo sapiens 152.75 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79813 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79813&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5308655 252656458 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149346 Cc1ccc2nc(Nc3ccccc3)c(CN=O)c(=O)n2c1 InChI=1S/C16H14N4O2/c1-11-7-8-14-19-15(18-12-5-3-2-4-6-12)13(9-17-22)16(21)20(14)10-11/h2-8,10,18H,9H2,1H3 FMVCTJRUISVPFG-UHFFFAOYSA-N 79814 MLS000103393::cid_5310335::SMR000017332::(3Z)-3-[(hydroxyamino)methylidene]-7-methyl-2-phenyliminopyrido[1,2-a]pyrimidin-4-one::(3Z)-7-methyl-3-[(oxidanylamino)methylidene]-2-phenylimino-pyrido[1,2-a]pyrimidin-4-one::(3Z)-3-[(hydroxyamino)methylidene]-7-methyl-2-phenylimino-4-pyrido[1,2-a]pyrimidinone::(3Z)-3-[(hydroxyamino)methylene]-7-methyl-2-phenylimino-pyrido[1,2-a]pyrimidin-4-one Orexin/Hypocretin receptor type 1 Homo sapiens 5112 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79814 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79814&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898283 252656459 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149347 CCn1c2ccccc2c2nc3ccccc3nc12 InChI=1S/C16H13N3/c1-2-19-14-10-6-3-7-11(14)15-16(19)18-13-9-5-4-8-12(13)17-15/h3-10H,2H2,1H3 IQAPAXYJGPZPMU-UHFFFAOYSA-N 49108 SMR000102652::cid_746478::MLS000105674::6-ethylindolo[3,2-b]quinoxaline Orexin/Hypocretin receptor type 1 Homo sapiens 914 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49108 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49108&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 746478 252629392 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149348 C1CN(CCN1c1ccccc1)c1ncnc2c3ccccc3oc12 InChI=1S/C20H18N4O/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)20-19-18(21-14-22-20)16-8-4-5-9-17(16)25-19/h1-9,14H,10-13H2 HBHHOFOOVLKNGC-UHFFFAOYSA-N 37227 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine::SMR000104818::cid_2877644::4-(4-phenyl-1-piperazinyl)benzofuro[3,2-d]pyrimidine::MLS000108868::4-(4-phenylpiperazino)benzofuro[3,2-d]pyrimidine Orexin/Hypocretin receptor type 1 Homo sapiens 4705 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37227&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2877644 252618198 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149349 OC(CN1c2ccccc2Sc2ccccc12)Cn1nnc2ccccc12 InChI=1S/C21H18N4OS/c26-15(14-25-17-8-2-1-7-16(17)22-23-25)13-24-18-9-3-5-11-20(18)27-21-12-6-4-10-19(21)24/h1-12,15,26H,13-14H2 QRYLEGDMIGVEDT-UHFFFAOYSA-N 71855 cid_2897268::1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol::1-(benzotriazol-1-yl)-3-phenothiazin-10-ylpropan-2-ol::SMR000106058::MLS000110126::1-(benzotriazol-1-yl)-3-phenothiazin-10-yl-propan-2-ol Orexin/Hypocretin receptor type 1 Homo sapiens 13311 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71855 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=71855&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2897268 252649125 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149350 Cc1nn(C)c(C)c1N=Cc1c(O)ccc2ccccc12 |w:8.8| InChI=1S/C17H17N3O/c1-11-17(12(2)20(3)19-11)18-10-15-14-7-5-4-6-13(14)8-9-16(15)21/h4-10,21H,1-3H3 RZIALXYIRNOGAQ-UHFFFAOYSA-N 79815 (1Z)-1-[[(1,3,5-trimethyl-4-pyrazolyl)amino]methylidene]-2-naphthalenone::(1Z)-1-[[(1,3,5-trimethylpyrazol-4-yl)amino]methylidene]naphthalen-2-one::MLS000106377::cid_5405772::SMR000103344::(1Z)-1-[[(1,3,5-trimethylpyrazol-4-yl)amino]methylene]naphthalen-2-one Orexin/Hypocretin receptor type 1 Homo sapiens 3755 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79815 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79815&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5405772 252656460 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149351 Nc1c(oc2ccccc12)C(=O)c1ccc(Br)s1 InChI=1S/C13H8BrNO2S/c14-10-6-5-9(18-10)12(16)13-11(15)7-3-1-2-4-8(7)17-13/h1-6H,15H2 UHWVSUDPAPFTIL-UHFFFAOYSA-N 52210 (3-amino-1-benzofuran-2-yl)-(5-bromothiophen-2-yl)methanone::(3-azanyl-1-benzofuran-2-yl)-(5-bromanylthiophen-2-yl)methanone::cid_687093::(3-amino-2-benzofuranyl)-(5-bromo-2-thiophenyl)methanone::MLS000110415::SMR000106345::(3-aminobenzofuran-2-yl)-(5-bromo-2-thienyl)methanone Orexin/Hypocretin receptor type 1 Homo sapiens 6690 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=52210&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 687093 252632360 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149352 Cc1csc(n1)-c1coc2cc(O)cc(C)c2c1=O InChI=1S/C14H11NO3S/c1-7-3-9(16)4-11-12(7)13(17)10(5-18-11)14-15-8(2)6-19-14/h3-6,16H,1-2H3 NQLIVLASGOOYQX-UHFFFAOYSA-N 79816 SMR000111491::5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one::MLS000107119::cid_5310837::7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one::7-hydroxy-5-methyl-3-(4-methyl-2-thiazolyl)-1-benzopyran-4-one::7-hydroxy-5-methyl-3-(4-methylthiazol-2-yl)chromone Orexin/Hypocretin receptor type 1 Homo sapiens 2538 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79816 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79816&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5310837 252656461 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149353 CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1 InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3 KZFUMWVJJNDGAU-UHFFFAOYSA-N 79817 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one::MLS000106045::cid_100335::SMR000103016::7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-2-one::7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)coumarin Orexin/Hypocretin receptor type 1 Homo sapiens 1141 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79817 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79817&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 100335 252656462 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149354 COc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 InChI=1S/C21H21N3O5S2/c1-28-19-5-3-2-4-17(19)20(25)23-21-22-18(14-30-21)15-6-8-16(9-7-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25) OEWBVHQZAIHBFE-UHFFFAOYSA-N 41581 SMR000122991::2-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide::cid_979629::2-methoxy-N-[4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolyl]benzamide::2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide::MLS000068567::2-methoxy-N-[4-(4-morpholinosulfonylphenyl)thiazol-2-yl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 3595 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41581 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41581&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 979629 252622306 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149355 Cc1nc2ccc(cc2[nH]1)-c1nc2ccccc2o1 InChI=1S/C15H11N3O/c1-9-16-11-7-6-10(8-13(11)17-9)15-18-12-4-2-3-5-14(12)19-15/h2-8H,1H3,(H,16,17) FAUHDDWHOPTTHL-UHFFFAOYSA-N 43682 MLS000067817::2-(2-Methyl-1H-benzoimidazol-5-yl)-benzooxazole::cid_831984::SMR000122391::2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole Orexin/Hypocretin receptor type 1 Homo sapiens 1056 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43682 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43682&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 831984 252624358 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149356 Cc1nn2c(N)c(-c3ccccc3)c(C)nc2c1-c1ccccc1 InChI=1S/C20H18N4/c1-13-17(15-9-5-3-6-10-15)19(21)24-20(22-13)18(14(2)23-24)16-11-7-4-8-12-16/h3-12H,21H2,1-2H3 COYLEYRJZHTLTR-UHFFFAOYSA-N 79818 cid_684860::2,5-dimethyl-3,6-diphenyl-pyrazolo[1,5-a]pyrimidin-7-amine::2,5-dimethyl-3,6-diphenyl-7-pyrazolo[1,5-a]pyrimidinamine::2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine::MLS000527050::SMR000117524::2,5-Dimethyl-3,6-diphenyl-pyrazolo[1,5-a]pyrimidin-7-ylamine::(2,5-dimethyl-3,6-diphenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amine Orexin/Hypocretin receptor type 1 Homo sapiens 5343 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79818 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79818&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 684860 252656463 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149357 Cc1cc(NC(=O)CCC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)no1 InChI=1S/C26H30N4O4S/c1-18-16-22(29-34-18)28-23(31)13-14-24(32)30(17-21-12-7-15-35-21)25(19-8-3-2-4-9-19)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31) POZPNDPDKFMYES-UHFFFAOYSA-N 79819 cid_3210705::N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-thiophen-2-ylmethyl-succinamide::N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide::MLS000527511::N'-[2-(cyclopentylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide::N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-3-isoxazolyl)-N'-(thiophen-2-ylmethyl)butanediamide::SMR000117985::N'-[2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(5-methylisoxazol-3-yl)-N'-(2-thenyl)succinamide Orexin/Hypocretin receptor type 1 Homo sapiens 315.04 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79819 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79819&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3210705 252656464 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149358 CCOC(=O)c1ccc2[nH]c(C)c(C)c2c1 InChI=1S/C13H15NO2/c1-4-16-13(15)10-5-6-12-11(7-10)8(2)9(3)14-12/h5-7,14H,4H2,1-3H3 VQDRHZVLRCGSFX-UHFFFAOYSA-N 79820 ethyl 2,3-dimethyl-1H-indole-5-carboxylate::MLS000527700::SMR000120274::cid_612460::2,3-dimethyl-1H-indole-5-carboxylic acid ethyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 5445 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79820 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79820&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 612460 252656465 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149359 O=C(OCC#CCSc1nc2ccccc2o1)c1cc2ccccc2o1 InChI=1S/C20H13NO4S/c22-19(18-13-14-7-1-3-9-16(14)24-18)23-11-5-6-12-26-20-21-15-8-2-4-10-17(15)25-20/h1-4,7-10,13H,11-12H2 CDCFSINNCBTHAU-UHFFFAOYSA-N 79821 Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester::MLS000527736::4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 1-benzofuran-2-carboxylate::cid_1888033::2-benzofurancarboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester::SMR000120310::coumarilic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 42234 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79821 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79821&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1888033 252656466 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149360 Cc1cccc(c1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1 InChI=1S/C26H26N4O2/c1-19-6-5-9-21(16-19)23-17-24-27-22(20-7-3-2-4-8-20)18-25(30(24)28-23)29-12-10-26(11-13-29)31-14-15-32-26/h2-9,16-18H,10-15H2,1H3 UGVJHWHYSYFWHY-UHFFFAOYSA-N 79822 SMR000121149::MLS000528674::8-[2-(3-methylphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[2-(3-methylphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::cid_1441513::8-(5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-aza-spiro[4.5]decane::8-[2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[2-(m-tolyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane Orexin/Hypocretin receptor type 1 Homo sapiens 5381 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79822 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79822&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1441513 252656467 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149361 Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1 InChI=1S/C26H26N4O2/c1-19-7-9-21(10-8-19)23-17-24-27-22(20-5-3-2-4-6-20)18-25(30(24)28-23)29-13-11-26(12-14-29)31-15-16-32-26/h2-10,17-18H,11-16H2,1H3 NDXOATUNXVCPTB-UHFFFAOYSA-N 74710 8-(5-Phenyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-aza-spiro[4.5]decane::SMR000121172::MLS000528697::8-[2-(4-methylphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[2-(4-methylphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::cid_1441409::8-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[5-phenyl-2-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane Orexin/Hypocretin receptor type 1 Homo sapiens 5680 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=74710 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=74710&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1441409 252651931 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149362 Cc1c(\C=C\C(=O)c2cccs2)cnn1C InChI=1S/C12H12N2OS/c1-9-10(8-13-14(9)2)5-6-11(15)12-4-3-7-16-12/h3-8H,1-2H3 CASRTAOYDNMUOI-UHFFFAOYSA-N 79823 (E)-3-(1,5-dimethylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one::cid_5376739::(E)-3-(1,5-dimethylpyrazol-4-yl)-1-thiophen-2-yl-prop-2-en-1-one::SMR000114946::(E)-3-(1,5-dimethyl-4-pyrazolyl)-1-thiophen-2-yl-2-propen-1-one::3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(2-thienyl)-2-propen-1-one::MLS000548084::(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one Orexin/Hypocretin receptor type 1 Homo sapiens 3965 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79823 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79823&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5376739 252656468 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149363 Cc1c(c(=O)n(-c2ccccc2)n1C)C1(C(=O)Nc2c1cc(Br)cc2C)c1c(C)n(C)n(-c2ccccc2)c1=O InChI=1S/C31H28BrN5O3/c1-18-16-21(32)17-24-27(18)33-30(40)31(24,25-19(2)34(4)36(28(25)38)22-12-8-6-9-13-22)26-20(3)35(5)37(29(26)39)23-14-10-7-11-15-23/h6-17H,1-5H3,(H,33,40) AWYHAJSPPSBCPE-UHFFFAOYSA-N 79824 5-bromo-3,3-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methyl-1H-indol-2-one::5-bromo-3,3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-methyl-1,3-dihydro-2H-indol-2-one::SMR000114179::5-bromo-3,3-bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-7-methyl-1H-indol-2-one::cid_4420032::5-bromanyl-3,3-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-7-methyl-1H-indol-2-one::MLS000548055::5-bromo-3,3-bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-7-methyl-oxindole Orexin/Hypocretin receptor type 1 Homo sapiens 1279 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79824 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79824&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4420032 252656469 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149364 Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:8| InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-10-15(20)19(16(14)21)18-13-4-2-1-3-5-13/h1-10,18H HKBBRGVRPBTDEA-UHFFFAOYSA-N 61664 cid_1484340::MLS000540412::3-(4-chlorophenyl)-1-phenylazanyl-pyrrole-2,5-dione::SMR000125670::1-anilino-3-(4-chlorophenyl)-1H-pyrrole-2,5-dione::1-anilino-3-(4-chlorophenyl)pyrrole-2,5-dione::1-anilino-3-(4-chlorophenyl)-3-pyrroline-2,5-quinone Orexin/Hypocretin receptor type 1 Homo sapiens 3728 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=61664 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=61664&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1484340 252640817 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149365 CSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)s2)c1 InChI=1S/C16H17BrN2O3S3/c1-23-12-5-2-4-11(10-12)18-16(20)13-6-3-9-19(13)25(21,22)15-8-7-14(17)24-15/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,18,20) GGCRLIFVACLEJF-UHFFFAOYSA-N 79825 1-(5-bromanylthiophen-2-yl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide::1-(5-bromothiophen-2-yl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide::1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[3-(methylthio)phenyl]-2-pyrrolidinecarboxamide::1-[(5-bromo-2-thienyl)sulfonyl]-N-[3-(methylthio)phenyl]prolinamide::MLS000531786::SMR000136764::cid_2961359::1-[(5-bromo-2-thienyl)sulfonyl]-N-[3-(methylthio)phenyl]pyrrolidine-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 93.34 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79825 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79825&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2961359 252656470 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149366 COc1ccc(CN=Nc2snc(SC)c2C#N)cc1OC |w:8.8| InChI=1S/C14H14N4O2S2/c1-19-11-5-4-9(6-12(11)20-2)8-16-17-13-10(7-15)14(21-3)18-22-13/h4-6H,8H2,1-3H3 OBRNQGNLEMQCJY-UHFFFAOYSA-N 79826 MLS000519484::5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile::SMR000129903::cid_3916279::5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-(methylthio)-4-isothiazolecarbonitrile::3-(methylthio)-5-(N'-veratrylidenehydrazino)isothiazole-4-carbonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 1929 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79826 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79826&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898284 252656471 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149367 CSc1nc2ccc3nc(NC(=O)c4ccccc4)sc3c2s1 InChI=1S/C16H11N3OS3/c1-21-16-18-11-8-7-10-12(13(11)23-16)22-15(17-10)19-14(20)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,19,20) VZLGPCYXRFHJFJ-UHFFFAOYSA-N 79827 MLS000522243::SMR000127511::N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide::N-[2-(methylthio)-7-thiazolo[4,5-g][1,3]benzothiazolyl]benzamide::cid_5013043::N-[2-(methylthio)thiazolo[4,5-g][1,3]benzothiazol-7-yl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 1128 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79827 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79827&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5013043 252656472 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149368 COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O |w:8.30,t:9| InChI=1S/C22H19NO6S/c1-13-8-10-15(11-9-13)30(27,28)23-19-12-18(20(14(2)24)22(26)29-3)21(25)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3 XAVHNLMPCGNMCN-UHFFFAOYSA-N 78087 MLS000521425::cid_9551443::SMR000131833::2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphthalenyl]-3-oxobutanoic acid methyl ester::methyl 2-[4-(4-methylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]-3-oxobutanoate::methyl 2-[4-(4-methylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]-3-oxidanylidene-butanoate::3-keto-2-(1-keto-4-tosylimino-2-naphthyl)butyric acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 413.94 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=78087 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=78087&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898228 252654850 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149369 Clc1cccc(-c2ccc(C=NNC(=O)C3C(CNC3=O)c3ccccc3)o2)c1Cl InChI=1S/C22H17Cl2N3O3/c23-17-8-4-7-15(20(17)24)18-10-9-14(30-18)11-26-27-22(29)19-16(12-25-21(19)28)13-5-2-1-3-6-13/h1-11,16,19H,12H2,(H,25,28)(H,27,29) AROOAZVHDKORCX-UHFFFAOYSA-N 79828 N-[[5-(2,3-dichlorophenyl)-2-furanyl]methylideneamino]-2-oxo-4-phenyl-3-pyrrolidinecarboxamide::N-[[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]methylideneamino]-2-oxidanylidene-4-phenyl-pyrrolidine-3-carboxamide::MLS000533267::N'-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide::N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide::SMR000140705::cid_2866938::N-[[5-(2,3-dichlorophenyl)-2-furyl]methyleneamino]-2-keto-4-phenyl-pyrrolidine-3-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 648.49 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79828 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79828&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2866938 252656473 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149370 COc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2OC)c(OC)c1 InChI=1S/C20H17N3O4S/c1-25-13-9-8-12(16(11-13)27-3)10-17-19(24)23-20(28-17)21-18(22-23)14-6-4-5-7-15(14)26-2/h4-11H,1-3H3 OTKMWGHZDAZYAF-UHFFFAOYSA-N 52289 5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-6-thiazolo[3,2-b][1,2,4]triazolone::SMR000148467::cid_3719021::5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one::5-[1-(2,4-Dimethoxy-phenyl)-meth-(Z)-ylidene]-2-(2-methoxy-phenyl)-thiazolo[3,2-b][1,2,4]triazol-6-one::MLS000557551::5-(2,4-dimethoxybenzylidene)-2-(2-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-one Orexin/Hypocretin receptor type 1 Homo sapiens 722.86 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52289 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=52289&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3719021 252632433 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149371 CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 InChI=1S/C20H17N3OS2/c1-2-23-19(18-8-5-11-25-18)21-22-20(23)26-13-17(24)16-10-9-14-6-3-4-7-15(14)12-16/h3-12H,2,13H2,1H3 KHLQGTBTBLCMGX-UHFFFAOYSA-N 79829 2-(4-Ethyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-naphthalen-2-yl-ethanone::2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone::cid_4438402::SMR000148725::MLS000558009::2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone::2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2-naphthalenyl)ethanone::2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Orexin/Hypocretin receptor type 1 Homo sapiens 6664 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79829 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79829&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4438402 252656474 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149372 CN(C(c1ccccc1)c1ccccc1)C(=O)CSc1nc(cn1N)-c1ccccc1 InChI=1S/C25H24N4OS/c1-28(24(20-13-7-3-8-14-20)21-15-9-4-10-16-21)23(30)18-31-25-27-22(17-29(25)26)19-11-5-2-6-12-19/h2-17,24H,18,26H2,1H3 KGWMKIJRSULRGY-UHFFFAOYSA-N 79830 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(diphenylmethyl)-N-methylacetamide::MLS000565585::cid_3493951::2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide::2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(diphenylmethyl)-N-methyl-ethanamide::SMR000152752::2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-benzhydryl-N-methyl-acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 539.72 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79830 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79830&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3493951 252656475 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149373 Cc1cc(SCC(=O)c2ccc3OCOc3c2)nc2ccccc12 InChI=1S/C19H15NO3S/c1-12-8-19(20-15-5-3-2-4-14(12)15)24-10-16(21)13-6-7-17-18(9-13)23-11-22-17/h2-9H,10-11H2,1H3 WLQLQOARHVMJPU-UHFFFAOYSA-N 47211 MLS000565642::1-(1,3-benzodioxol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone::1-(1,3-benzodioxol-5-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone::SMR000152818::1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-2-quinolinyl)thio]ethanone::cid_1228660::1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-2-quinolyl)thio]ethanone Orexin/Hypocretin receptor type 1 Homo sapiens 3341 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47211&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1228660 252627627 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149374 Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12 InChI=1S/C23H21N3O6/c1-14-18(15(2)32-25-14)12-30-17-9-7-16(8-10-17)23(29)31-13-22(28)26-11-21(27)24-19-5-3-4-6-20(19)26/h3-10H,11-13H2,1-2H3,(H,24,27) HTWFLPBAXWPSKY-UHFFFAOYSA-N 79831 SMR000152896::MLS000565819::4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester::cid_2105000::[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate::[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate::4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 14918 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79831 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79831&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2105000 252656476 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149375 CCSc1nnc(NC(=O)c2ccc3ccccc3n2)s1 InChI=1S/C14H12N4OS2/c1-2-20-14-18-17-13(21-14)16-12(19)11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H,16,17,19) DUUWHYWCCQNXKS-UHFFFAOYSA-N 79832 N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide::cid_2121796::SMR000153314::MLS000566211::N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide::N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]quinaldamide Orexin/Hypocretin receptor type 1 Homo sapiens 2669 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79832 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79832&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2121796 252656477 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149376 Cc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1 InChI=1S/C17H14N4OS2/c1-10-9-18-17(23-10)19-15(22)14-8-13-11(2)20-21(16(13)24-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19,22) AXMYICLOWJCRNN-UHFFFAOYSA-N 57221 3-methyl-N-(5-methyl-2-thiazolyl)-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide::3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide::SMR000152857::3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide::MLS000565726::cid_2102506::3-methyl-N-(5-methylthiazol-2-yl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 2210 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57221&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2102506 252637153 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149377 Cc1nc2cc(NC(=O)COc3ccccc3C#N)ccc2n1-c1ccccc1 InChI=1S/C23H18N4O2/c1-16-25-20-13-18(11-12-21(20)27(16)19-8-3-2-4-9-19)26-23(28)15-29-22-10-6-5-7-17(22)14-24/h2-13H,15H2,1H3,(H,26,28) SXXPISMQCVRFET-UHFFFAOYSA-N 79833 2-(2-cyanophenoxy)-N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide::2-(2-cyanophenoxy)-N-(2-methyl-1-phenyl-5-benzimidazolyl)acetamide::2-(2-cyanophenoxy)-N-(2-methyl-1-phenyl-benzimidazol-5-yl)ethanamide::SMR000153707::cid_4877213::MLS000566741::2-(2-cyanophenoxy)-N-(2-methyl-1-phenyl-benzimidazol-5-yl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 1608 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79833 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79833&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4877213 252656478 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149378 Cc1cccc(NC(=O)NNC(=O)c2cc(nc3ccccc23)-c2ccccc2Cl)c1 InChI=1S/C24H19ClN4O2/c1-15-7-6-8-16(13-15)26-24(31)29-28-23(30)19-14-22(18-10-2-4-11-20(18)25)27-21-12-5-3-9-17(19)21/h2-14H,1H3,(H,28,30)(H2,26,29,31) KMHOUFSOQJOPJN-UHFFFAOYSA-N 79834 2-{[2-(2-chlorophenyl)-4-quinolinyl]carbonyl}-N-(3-methylphenyl)hydrazinecarboxamide::1-[[2-(2-chlorophenyl)quinolin-4-yl]carbonylamino]-3-(3-methylphenyl)urea::1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-(3-methylphenyl)urea::cid_1012499::MLS000545765::SMR000159537::1-[[[2-(2-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-(3-methylphenyl)urea::1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-(m-tolyl)urea Orexin/Hypocretin receptor type 1 Homo sapiens 815.26 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79834 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79834&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1012499 252656479 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149379 Cc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O InChI=1S/C13H10Cl2N2O3/c1-8-2-4-9(5-3-8)13(19)20-7-17-12(18)11(15)10(14)6-16-17/h2-6H,7H2,1H3 FLFFUOCCWRXKSU-UHFFFAOYSA-N 41609 cid_1474465::MLS000546966::SMR000180164::4-methylbenzoic acid (4,5-dichloro-6-oxo-1-pyridazinyl)methyl ester::[4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 4-methylbenzenecarboxylate::(4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-methylbenzoate::[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl 4-methylbenzoate::4-methylbenzoic acid (4,5-dichloro-6-keto-pyridazin-1-yl)methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 17360 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41609 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41609&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1474465 252622331 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149380 Clc1ccccc1C(=O)Nc1ccc2sc3ccccc3c(=O)c2c1 InChI=1S/C20H12ClNO2S/c21-16-7-3-1-5-13(16)20(24)22-12-9-10-18-15(11-12)19(23)14-6-2-4-8-17(14)25-18/h1-11H,(H,22,24) GDNFHTMLVHWAQG-UHFFFAOYSA-N 49506 SMR000179867::2-chloro-N-(9-oxo-2-thioxanthenyl)benzamide::2-chloranyl-N-(9-oxidanylidenethioxanthen-2-yl)benzamide::MLS000546469::2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzenecarboxamide::2-chloro-N-(9-oxothioxanthen-2-yl)benzamide::cid_3794832::2-chloro-N-(9-ketothioxanthen-2-yl)benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 3261 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49506 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49506&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3794832 252629782 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149381 NC(=S)NN=Cc1ccccc1OCc1cccc(Cl)c1 |w:4.3| InChI=1S/C15H14ClN3OS/c16-13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-18-19-15(17)21/h1-9H,10H2,(H3,17,19,21) LXWXXNAEICBAJF-UHFFFAOYSA-N 79835 2-[(3-chlorobenzyl)oxy]benzaldehyde thiosemicarbazone::1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea::SMR000161207::cid_848050::[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea::MLS000546103::[[2-(3-chlorobenzyl)oxybenzylidene]amino]thiourea Orexin/Hypocretin receptor type 1 Homo sapiens 2705 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79835 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79835&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6876815 252656480 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149382 Cc1ccc(\C=C2/Sc3ccccc3C2=O)s1 InChI=1S/C14H10OS2/c1-9-6-7-10(16-9)8-13-14(15)11-4-2-3-5-12(11)17-13/h2-8H,1H3 GJGVJHSDPXITJE-UHFFFAOYSA-N 49512 cid_777053::2-(5-Methyl-thiophen-2-ylmethylene)-benzo[b]thiophen-3-one::(2Z)-2-[(5-methylthiophen-2-yl)methylidene]-1-benzothiophen-3-one::(2Z)-2-[(5-methyl-2-thiophenyl)methylidene]-1-benzothiophen-3-one::MLS000551201::SMR000176469::(2Z)-2-[(5-methyl-2-thienyl)methylene]benzothiophen-3-one Orexin/Hypocretin receptor type 1 Homo sapiens 23071 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49512 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49512&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 777053 252629788 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149383 CCSC1=NC(O)(C(C(C1C#N)c1ccccc1Cl)C(=O)c1cccs1)C(F)(F)F |t:3| InChI=1S/C20H16ClF3N2O2S2/c1-2-29-18-12(10-25)15(11-6-3-4-7-13(11)21)16(17(27)14-8-5-9-30-14)19(28,26-18)20(22,23)24/h3-9,12,15-16,28H,2H2,1H3 FKSWTJGLQSNEBW-UHFFFAOYSA-N 79836 4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::cid_3128167::SMR000176683::4-(2-chlorophenyl)-6-ethylsulfanyl-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-Chloro-phenyl)-2-ethylsulfanyl-6-hydroxy-5-(thiophene-2-carbonyl)-6-trifluoromethyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile::4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::MLS000563879::4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 173.73 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79836 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79836&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898285 252656481 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149384 Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C)C(C)(C)C InChI=1S/C24H32N2O3/c1-16-10-6-9-13-19(16)26(15-21(27)25-18-11-7-8-12-18)23(28)22-17(2)14-20(29-22)24(3,4)5/h6,9-10,13-14,18H,7-8,11-12,15H2,1-5H3,(H,25,27) BNBJBKJMJONHSB-UHFFFAOYSA-N 79837 5-tert-Butyl-3-methyl-furan-2-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide::5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-(2-methylphenyl)-2-furancarboxamide::cid_1454979::5-tert-butyl-N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-3-methyl-N-(2-methylphenyl)furan-2-carboxamide::MLS000556809::SMR000173542::5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-(2-methylphenyl)furan-2-carboxamide::5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]-3-methyl-N-(o-tolyl)-2-furamide Orexin/Hypocretin receptor type 1 Homo sapiens 263.72 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79837 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79837&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1454979 252656482 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149385 Cc1cc(C)nc([N-]\C(N)=[NH+]\c2ccc(F)c(c2)[N+]([O-])=O)n1 InChI=1S/C13H12FN6O2/c1-7-5-8(2)17-13(16-7)19-12(15)18-9-3-4-10(14)11(6-9)20(21)22/h3-6H,1-2H3,(H2-,15,16,17,18,19)/q-1/p+1 DTPJSDREPWGRED-UHFFFAOYSA-O 79838 SMR000177236::2-(4,6-dimethylpyrimidin-2-yl)-1-(4-fluoro-3-nitrophenyl)guanidine::2-(4,6-dimethyl-2-pyrimidinyl)-1-(4-fluoro-3-nitrophenyl)guanidine::N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-(4-fluoro-3-nitro-phenyl)-guanidine::cid_3135979::MLS000552838::2-(4,6-dimethylpyrimidin-2-yl)-1-(4-fluoranyl-3-nitro-phenyl)guanidine::2-(4,6-dimethylpyrimidin-2-yl)-1-(4-fluoro-3-nitro-phenyl)guanidine Orexin/Hypocretin receptor type 1 Homo sapiens 10081 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79838 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79838&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5765374 252656483 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149386 CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3)ccc12 InChI=1S/C22H20N2O2/c1-3-24-20-10-5-4-9-18(20)19-14-16(11-12-21(19)24)23-22(25)15-7-6-8-17(13-15)26-2/h4-14H,3H2,1-2H3,(H,23,25) ZDOCDDUODADRCW-UHFFFAOYSA-N 79839 N-(9-Ethyl-9H-carbazol-3-yl)-3-methoxy-benzamide::N-(9-ethylcarbazol-3-yl)-3-methoxybenzamide::MLS000557049::N-(9-ethyl-3-carbazolyl)-3-methoxybenzamide::SMR000177899::cid_1717232::N-(9-ethylcarbazol-3-yl)-3-methoxy-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 199.52 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79839 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79839&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1717232 252656484 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149387 COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3 InChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18) GPCQYADOLCARPD-UHFFFAOYSA-N 79840 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one::SMR000162289::cid_5091486::MLS000540155::3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one::3-methoxy-5H-benzothiopheno[2,3-c]quinolin-6-one Orexin/Hypocretin receptor type 1 Homo sapiens 2494 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79840 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79840&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4YK 5C1Q 5091486 252656485 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149388 Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1 InChI=1S/C18H15N3OS/c1-11-17(12-6-2-3-7-13(12)19-11)16(22)10-23-18-20-14-8-4-5-9-15(14)21-18/h2-9,19H,10H2,1H3,(H,20,21) RHZUDNCYNPRDGJ-UHFFFAOYSA-N 79841 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone::cid_947342::2-(1H-Benzoimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)-ethanone::SMR000178497::MLS000555295::2-(1H-benzimidazol-2-ylthio)-1-(2-methyl-1H-indol-3-yl)ethanone Orexin/Hypocretin receptor type 1 Homo sapiens 3417 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79841 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79841&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 947342 252656486 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149389 Cc1cccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)c1 InChI=1S/C21H18N2OS/c1-14-5-4-6-15(11-14)13-22-23-21(24)19-12-17-10-9-16-7-2-3-8-18(16)20(17)25-19/h2-8,11-13H,9-10H2,1H3,(H,23,24) QLNBBJPZXKTDNN-UHFFFAOYSA-N 66391 N-[(3-methylphenyl)methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide::MLS000326818::SMR000179417::cid_3810506::N'-[(E)-(3-methylphenyl)methylidene]-4,5-dihydronaphtho[1,2-b]thiophene-2-carbohydrazide::N-[(3-methylbenzylidene)amino]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 2128 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66391 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66391&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3810506 252644714 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149390 CC(=O)NC(NC(=S)Nc1ccc(cc1)N=Nc1ccccc1)C(Cl)(Cl)Cl |w:15.15| InChI=1S/C17H16Cl3N5OS/c1-11(26)21-15(17(18,19)20)23-16(27)22-12-7-9-14(10-8-12)25-24-13-5-3-2-4-6-13/h2-10,15H,1H3,(H,21,26)(H2,22,23,27) XGFZZURANXHOPT-UHFFFAOYSA-N 79842 SMR000184527::N-{2,2,2-trichloro-1-[({[4-(phenyldiazenyl)phenyl]amino}carbonothioyl)amino]ethyl}acetamide::N-[2,2,2-tris(chloranyl)-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]ethanamide::N-[2,2,2-trichloro-1-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]ethyl]acetamide::MLS000573678::cid_2830086::N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]acetamide::N-[2,2,2-trichloro-1-[(4-phenylazophenyl)thiocarbamoylamino]ethyl]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 42308 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79842 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79842&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2830086 252656487 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149391 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccccc1)-c1ccccc1 |w:8.9| InChI=1S/C22H20N6O/c1-15-19(16(2)28(27-15)18-11-7-4-8-12-18)14-23-26-22(29)21-13-20(24-25-21)17-9-5-3-6-10-17/h3-14H,1-2H3,(H,24,25)(H,26,29) MVBKUFCOWPEERW-UHFFFAOYSA-N 39802 SMR000187161::N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide::N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide::cid_2868592::N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-phenyl-1H-pyrazole-5-carbohydrazide::MLS000577776::N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide::N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-phenyl-1H-pyrazole-5-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 1750 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=39802 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=39802&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5343000 252620688 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149392 C\C(\C=C1\SC(=NC1=O)N1CCOCC1)=C\c1ccccc1 |c:5| InChI=1S/C17H18N2O2S/c1-13(11-14-5-3-2-4-6-14)12-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h2-6,11-12H,7-10H2,1H3 OXILYMAORVXQHT-UHFFFAOYSA-N 79843 MLS000570980::5-(2-methyl-3-phenyl-2-propen-1-ylidene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one::(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one::cid_682575::SMR000208950::(5E)-5-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one::(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-(4-morpholinyl)-4-thiazolone::(5E)-5-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]-2-morpholino-2-thiazolin-4-one Orexin/Hypocretin receptor type 1 Homo sapiens 509.97 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79843 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79843&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 682575 252656488 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149393 [O-][N+](=O)c1cccc(c1)-c1nc(-c2cccs2)c([nH]1)-c1cccs1 InChI=1S/C17H11N3O2S2/c21-20(22)12-5-1-4-11(10-12)17-18-15(13-6-2-8-23-13)16(19-17)14-7-3-9-24-14/h1-10H,(H,18,19) ASBJUFFUXNNWAT-UHFFFAOYSA-N 79844 cid_1327610::SMR000196928::2-(3-nitrophenyl)-4,5-di-2-thienyl-1H-imidazole::2-(3-nitrophenyl)-4,5-dithiophen-2-yl-1H-imidazole::MLS000575897::2-(3-nitrophenyl)-4,5-bis(2-thienyl)-1H-imidazole Orexin/Hypocretin receptor type 1 Homo sapiens 6646 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79844 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79844&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1327610 252656489 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149394 Brc1cccc(C=C(NC(=O)c2ccccc2)c2n[nH]c(=S)[nH]2)c1 |w:6.5| InChI=1S/C17H13BrN4OS/c18-13-8-4-5-11(9-13)10-14(15-20-17(24)22-21-15)19-16(23)12-6-2-1-3-7-12/h1-10H,(H,19,23)(H2,20,21,22,24) OZKRGJQUQCJBGZ-UHFFFAOYSA-N 79845 N-[(E)-2-(3-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide::N-[2-(3-bromophenyl)-1-(5-mercapto-4H-1,2,4-triazol-3-yl)vinyl]benzamide::cid_5723855::MLS000579747::SMR000186480::N-[(E)-2-(3-bromophenyl)-1-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)vinyl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens >66224 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79845 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79845&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5723855 252656490 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149395 COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1OC |w:7.7| InChI=1S/C18H17N3O3/c1-23-15-9-7-12(11-16(15)24-2)8-10-17-19-18(21-20-17)13-5-3-4-6-14(13)22/h3-11,22H,1-2H3,(H,19,20,21) BVFYQEXFUILUIC-UHFFFAOYSA-N 76454 SMR000199595::cid_5807995::MLS000583690::2-{3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl}phenol::(6Z)-6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone::(6Z)-6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one::(6Z)-6-[5-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Orexin/Hypocretin receptor type 1 Homo sapiens 2514 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76454 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76454&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5807995 252653633 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149396 Cc1ccc(cc1Cl)-c1nnc(SCc2ccc(cc2)C(=O)Nc2nccs2)n1CC=C InChI=1S/C23H20ClN5OS2/c1-3-11-29-20(18-7-4-15(2)19(24)13-18)27-28-23(29)32-14-16-5-8-17(9-6-16)21(30)26-22-25-10-12-31-22/h3-10,12-13H,1,11,14H2,2H3,(H,25,26,30) GHVNLWJHYZBHBO-UHFFFAOYSA-N 79846 MLS000581495::4-[[5-(3-chloranyl-4-methyl-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide::4-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide::4-({[4-allyl-5-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-N-1,3-thiazol-2-ylbenzamide::SMR000200122::4-[[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-N-(2-thiazolyl)benzamide::cid_2212798::4-[[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-thiazol-2-yl-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 919 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79846 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79846&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2212798 252656491 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149397 CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3OC)ccc12 InChI=1S/C23H22N2O3/c1-4-25-19-10-6-5-8-16(19)18-14-15(12-13-20(18)25)24-23(26)17-9-7-11-21(27-2)22(17)28-3/h5-14H,4H2,1-3H3,(H,24,26) OTSSYHNUHICULA-UHFFFAOYSA-N 79847 MLS000580072::N-(9-ethyl-3-carbazolyl)-2,3-dimethoxybenzamide::N-(9-ethyl-9H-carbazol-3-yl)-2,3-dimethoxybenzamide::N-(9-ethylcarbazol-3-yl)-2,3-dimethoxybenzamide::cid_1725739::SMR000199316::N-(9-ethylcarbazol-3-yl)-2,3-dimethoxy-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 1700 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79847 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79847&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1725739 252656492 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149398 [O-][N+](=O)c1ccc(cc1)-c1c[nH]c(SC(c2ccccc2)c2ccccc2)n1 InChI=1S/C22H17N3O2S/c26-25(27)19-13-11-16(12-14-19)20-15-23-22(24-20)28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,21H,(H,23,24) WWDHGMDMNFLVLV-UHFFFAOYSA-N 57499 cid_1517476::MLS000581118::2-(diphenylmethyl)sulfanyl-5-(4-nitrophenyl)-1H-imidazole::SMR000199610::2-benzhydrylsulfanyl-5-(4-nitrophenyl)-1H-imidazole::2-[(diphenylmethyl)thio]-4-(4-nitrophenyl)-1H-imidazole::2-[(diphenylmethyl)thio]-5-(4-nitrophenyl)-1H-imidazole::2-(benzhydrylthio)-5-(4-nitrophenyl)-1H-imidazole Orexin/Hypocretin receptor type 1 Homo sapiens 5720 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57499 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57499&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1517476 252637428 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149399 COc1ccc(C=Cc2nc(N)nc(n2)-c2ccccc2O)cc1OC |w:6.5| InChI=1S/C19H18N4O3/c1-25-15-9-7-12(11-16(15)26-2)8-10-17-21-18(23-19(20)22-17)13-5-3-4-6-14(13)24/h3-11,24H,1-2H3,(H2,20,21,22,23) QWNWJNVLIJCFEO-UHFFFAOYSA-N 79848 (6Z)-6-[4-azanyl-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one::(6Z)-6-[4-amino-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,3,5-triazin-2-ylidene]-1-cyclohexa-2,4-dienone::2-{4-Amino-6-[(E)-2-(3,4-dimethoxy-phenyl)-vinyl]-[1,3,5]triazin-2-yl}-phenol::cid_12004452::SMR000218706::MLS000591636::(6Z)-6-[4-amino-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one::(6Z)-6-[4-amino-6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-s-triazin-2-ylidene]cyclohexa-2,4-dien-1-one Orexin/Hypocretin receptor type 1 Homo sapiens 2689 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79848 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79848&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 12004452 252656493 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149400 CC(NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)c1ccccc1 InChI=1S/C22H21N3O6S/c1-16(17-6-3-2-4-7-17)24-32(29,30)21-12-10-20(11-13-21)31-15-22(26)23-18-8-5-9-19(14-18)25(27)28/h2-14,16,24H,15H2,1H3,(H,23,26) SIKAQJWIVMKATA-UHFFFAOYSA-N 79849 SMR000198747::N-(3-nitrophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]ethanamide::MLS000578926::N-(3-nitrophenyl)-2-(4-{[(1-phenylethyl)amino]sulfonyl}phenoxy)acetamide::cid_2942839::N-(3-nitrophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 688.41 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79849 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79849&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2942839 252656494 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149401 CN(\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccccc1 InChI=1S/C14H12N3O3/c1-16(12-5-3-2-4-6-12)15-10-11-9-13(17(19)20)7-8-14(11)18/h2-10H,1H3/q-1/p+1 KOTQQFDPMBLZKR-UHFFFAOYSA-O 67219 cid_5367074::2-hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone::(6E)-6-[(2-methyl-2-phenylhydrazinyl)methylidene]-4-nitro-1-cyclohexa-2,4-dienone::MLS000576520::(6E)-6-[(2-methyl-2-phenyl-hydrazinyl)methylidene]-4-nitro-cyclohexa-2,4-dien-1-one::(6E)-6-[(2-methyl-2-phenylhydrazinyl)methylidene]-4-nitrocyclohexa-2,4-dien-1-one::SMR000185904::(6E)-6-[(N'-methyl-N'-phenyl-hydrazino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Orexin/Hypocretin receptor type 1 Homo sapiens 2389 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=67219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=67219&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5367074 252645524 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149402 [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=O)-[#8]\[#7]=[#6]-1/c2ccccc2-c2ccccc-12 InChI=1S/C22H11NO4/c1-25-19-12-11-14(13-20(19)26-2)22(24)27-23-21-17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-13H FIOBZCLLQFMTNZ-UHFFFAOYSA-N 79850 cid_1813635::SMR000185871::(fluoren-9-ylideneamino) 3,4-dimethoxybenzoate::3,4-dimethoxybenzoic acid (9-fluorenylideneamino) ester::MLS000576487::9H-fluoren-9-one O-(3,4-dimethoxybenzoyl)oxime::3,4-dimethoxybenzoic acid (fluoren-9-ylideneamino) ester Orexin/Hypocretin receptor type 1 Homo sapiens 1241 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79850 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79850&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1813635 252656495 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149403 OC1(N=C(SCC=C)C(C#N)C(C1C(=O)c1cccs1)c1ccccc1Cl)C(F)(F)F |t:2| InChI=1S/C21H16ClF3N2O2S2/c1-2-9-31-19-13(11-26)16(12-6-3-4-7-14(12)22)17(18(28)15-8-5-10-30-15)20(29,27-19)21(23,24)25/h2-8,10,13,16-17,29H,1,9H2 BUCXZTZHAFAMEK-UHFFFAOYSA-N 79851 2-Allylsulfanyl-4-(2-chloro-phenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-trifluoromethyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile::MLS000563952::4-(2-chlorophenyl)-2-oxidanyl-6-prop-2-enylsulfanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-6-(prop-2-enylthio)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::SMR000176896::cid_3130913::4-(2-chlorophenyl)-2-hydroxy-6-prop-2-enylsulfanyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::6-(allylthio)-4-(2-chlorophenyl)-2-hydroxy-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 404.88 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79851 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79851&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 74444428 252656496 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149404 Cc1ccc(cc1)C(=O)N\C(=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C(=O)NC(C)(C)C InChI=1S/C25H25N3O5/c1-16-8-10-17(11-9-16)23(29)26-21(24(30)27-25(2,3)4)15-20-12-13-22(33-20)18-6-5-7-19(14-18)28(31)32/h5-15H,1-4H3,(H,26,29)(H,27,30) WGXNPTNIXGROQI-UHFFFAOYSA-N 45541 MLS000568774::N-{1-tert-Butylcarbamoyl-2-[5-(3-nitro-phenyl)-furan-2-yl]-vinyl}-4-methyl-benzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::cid_1604503::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::SMR000174152::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[(E)-1-(tert-butylcarbamoyl)-2-[5-(3-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 2087 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45541 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45541&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1604503 252626138 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149405 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1cccs1)-c1ccccc1 |w:8.9| InChI=1S/C20H18N6OS/c1-13-16(14(2)26(25-13)15-7-4-3-5-8-15)12-21-24-20(27)18-11-17(22-23-18)19-9-6-10-28-19/h3-12H,1-2H3,(H,22,23)(H,24,27) HHCQZRFAYCXZND-UHFFFAOYSA-N 79852 MLS000584777::cid_1185020::N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide::SMR000203740::N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide::N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide::N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide::N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-5-(2-thienyl)-1H-pyrazole-3-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 2986 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79852 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79852&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6862122 252656497 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149406 COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1 InChI=1S/C23H25N7O3/c1-33-15-7-14-24-19(31)12-13-20(32)27-28-23-25-18-11-6-5-10-17(18)22-26-21(29-30(22)23)16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,24,31)(H,25,28)(H,27,32) FQAOKDLJUOIMDU-UHFFFAOYSA-N 79853 N-(3-methoxypropyl)-4-oxo-4-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]butanamide::MLS000582496::N-(3-methoxypropyl)-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide::N-(3-methoxypropyl)-4-oxo-4-[2-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide::cid_12004912::SMR000206482::N-(3-methoxypropyl)-4-oxidanylidene-4-[2-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide::4-keto-N-(3-methoxypropyl)-4-[N'-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butyramide Orexin/Hypocretin receptor type 1 Homo sapiens 3546 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79853 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79853&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 12004912 252656498 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149407 CCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1 InChI=1S/C23H25N7O2/c1-2-3-15-24-19(31)13-14-20(32)27-28-23-25-18-12-8-7-11-17(18)22-26-21(29-30(22)23)16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,24,31)(H,25,28)(H,27,32) FCHLRBHPHXGVJS-UHFFFAOYSA-N 79854 N-butyl-4-oxidanylidene-4-[2-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide::N-butyl-4-oxo-4-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]butanamide::N-butyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide::MLS000582494::cid_12005034::SMR000206480::N-butyl-4-oxo-4-[2-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide::N-butyl-4-keto-4-[N'-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butyramide Orexin/Hypocretin receptor type 1 Homo sapiens 2693 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79854 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79854&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 12005034 252656499 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149408 CN(C)c1c(F)c(F)c2c(C)c3ccccc3nc2c1F InChI=1S/C16H13F3N2/c1-8-9-6-4-5-7-10(9)20-15-11(8)12(17)13(18)16(14(15)19)21(2)3/h4-7H,1-3H3 CTHZKMOIZZRYOT-UHFFFAOYSA-N 51013 1,2,4-tris(fluoranyl)-N,N,9-trimethyl-acridin-3-amine::1,2,4-trifluoro-N,N,9-trimethyl-3-acridinamine::MLS000585709::1,2,4-trifluoro-N,N,9-trimethylacridin-3-amine::cid_12005118::SMR000204272::dimethyl-(1,2,4-trifluoro-9-methyl-acridin-3-yl)amine Orexin/Hypocretin receptor type 1 Homo sapiens 1005 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51013 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51013&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 12005118 252631253 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149409 CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc12 InChI=1S/C23H22N2O3/c1-4-25-21-8-6-5-7-19(21)20-13-16(9-10-22(20)25)24-23(26)15-11-17(27-2)14-18(12-15)28-3/h5-14H,4H2,1-3H3,(H,24,26) XSJVGJUQPNTJSP-UHFFFAOYSA-N 79855 N-(9-ethylcarbazol-3-yl)-3,5-dimethoxybenzamide::SMR000212398::MLS000588796::N-(9-Ethyl-9H-carbazol-3-yl)-3,5-dimethoxy-benzamide::N-(9-ethyl-3-carbazolyl)-3,5-dimethoxybenzamide::cid_1719534::N-(9-ethylcarbazol-3-yl)-3,5-dimethoxy-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 553.64 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79855 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79855&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1719534 252656500 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149410 Clc1[nH]c2ccccc2c1C=NNC(=O)c1sc2ccccc2c1Cl |w:11.13| InChI=1S/C18H11Cl2N3OS/c19-15-11-6-2-4-8-14(11)25-16(15)18(24)23-21-9-12-10-5-1-3-7-13(10)22-17(12)20/h1-9,22H,(H,23,24) JBNHJXLVBXWVIV-UHFFFAOYSA-N 79856 SMR000212018::3-chloro-N'-[(Z)-(2-chloro-3-indolylidene)methyl]-1-benzothiophene-2-carbohydrazide::MLS000587946::cid_5521669::3-Chloro-benzo[b]thiophene-2-carboxylic acid [1-(2-chloro-1H-indol-3-yl)-meth-(E)-ylidene]-hydrazide::3-chloro-N'-[(Z)-(2-chloroindol-3-ylidene)methyl]-1-benzothiophene-2-carbohydrazide::3-chloranyl-N'-[(Z)-(2-chloranylindol-3-ylidene)methyl]-1-benzothiophene-2-carbohydrazide::3-chloro-N'-[(Z)-(2-chloroindol-3-ylidene)methyl]benzothiophene-2-carbohydrazide Orexin/Hypocretin receptor type 1 Homo sapiens 2137 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79856 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79856&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5521669 252656501 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149411 Cc1nc2c(ccc3nc(NC(=O)Cc4cccc5ccccc45)sc23)s1 InChI=1S/C21H15N3OS2/c1-12-22-19-17(26-12)10-9-16-20(19)27-21(23-16)24-18(25)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,23,24,25) GBGYYVDQJKPHHK-UHFFFAOYSA-N 63228 cid_4137760::N-(7-methyl-2-thiazolo[5,4-e][1,3]benzothiazolyl)-2-(1-naphthalenyl)acetamide::MLS000724702::N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-naphthalen-1-ylacetamide::N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-naphthalen-1-yl-ethanamide::SMR000237537::N-(7-methylthiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-(1-naphthyl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 1452 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=63228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=63228&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4137760 252642341 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149412 O=C(Nc1nnc(o1)-c1ccccc1)c1cc(nc2ccccc12)-c1cccs1 InChI=1S/C22H14N4O2S/c27-20(24-22-26-25-21(28-22)14-7-2-1-3-8-14)16-13-18(19-11-6-12-29-19)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27) LTRWOPHBDJBIBD-UHFFFAOYSA-N 65189 N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide::N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide::cid_3274011::N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide::SMR000237565::MLS000724685::N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(2-thienyl)cinchoninamide Orexin/Hypocretin receptor type 1 Homo sapiens 6153 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=65189 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=65189&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3274011 252643948 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149413 Cc1cc(Cl)ccc1OCCCC(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O InChI=1S/C22H22ClN3O4S/c1-15-12-17(23)6-7-18(15)30-11-3-5-20(27)25-9-10-26-21(28)19(31-22(26)29)13-16-4-2-8-24-14-16/h2,4,6-8,12-14H,3,5,9-11H2,1H3,(H,25,27) CNWSMCUOMUHUNS-UHFFFAOYSA-N 79857 N-[2-[(5Z)-2,4-bis(oxidanylidene)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-(4-chloranyl-2-methyl-phenoxy)butanamide::SMR000248803::cid_6533320::MLS000334045::4-(4-chloro-2-methylphenoxy)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]butanamide::4-(4-chloro-2-methylphenoxy)-N-[2-[(5Z)-2,4-dioxo-5-(3-pyridinylmethylidene)-3-thiazolidinyl]ethyl]butanamide::4-(4-chloro-2-methyl-phenoxy)-N-[2-[(5Z)-2,4-diketo-5-(3-pyridylmethylene)thiazolidin-3-yl]ethyl]butyramide Orexin/Hypocretin receptor type 1 Homo sapiens 264.35 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79857 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79857&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6533320 252656502 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149414 COc1ccccc1-c1nnc(SCc2csc(n2)-c2ccc(Cl)cc2)n1CC=C InChI=1S/C22H19ClN4OS2/c1-3-12-27-20(18-6-4-5-7-19(18)28-2)25-26-22(27)30-14-17-13-29-21(24-17)15-8-10-16(23)11-9-15/h3-11,13H,1,12,14H2,2H3 ZPGIAYXQLTVUBN-UHFFFAOYSA-N 79858 MLS000417913::SMR000264754::2-(4-chlorophenyl)-4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole::cid_2529706::2-(4-chlorophenyl)-4-[[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]thiazole::4-[[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(4-chlorophenyl)thiazole Orexin/Hypocretin receptor type 1 Homo sapiens 1246 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79858 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79858&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2529706 252656503 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149415 COc1ccc2c(Cl)c(sc2c1)C(=O)NN=Cc1c(C)[nH]c2ccccc12 |w:15.16| InChI=1S/C20H16ClN3O2S/c1-11-15(13-5-3-4-6-16(13)23-11)10-22-24-20(25)19-18(21)14-8-7-12(26-2)9-17(14)27-19/h3-10,23H,1-2H3,(H,24,25) BCDSMPIHIRYKQV-UHFFFAOYSA-N 79859 3-chloro-6-methoxy-N'-[(Z)-(2-methylindol-3-ylidene)methyl]-1-benzothiophene-2-carbohydrazide::MLS000392617::SMR000261558::3-chloranyl-6-methoxy-N'-[(Z)-(2-methylindol-3-ylidene)methyl]-1-benzothiophene-2-carbohydrazide::cid_6291421::3-chloro-6-methoxy-N'-[(Z)-(2-methyl-3-indolylidene)methyl]-1-benzothiophene-2-carbohydrazide::3-chloro-6-methoxy-N'-[(Z)-(2-methylindol-3-ylidene)methyl]benzothiophene-2-carbohydrazide Orexin/Hypocretin receptor type 1 Homo sapiens 2043 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79859 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79859&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6291421 252656504 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149416 Cc1cc(nc2ccccc12)-c1ccc(cc1)N1CCOCC1 InChI=1S/C20H20N2O/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22/h2-9,14H,10-13H2,1H3 XGSZPPXEIDZEMS-UHFFFAOYSA-N 51057 4-[4-(4-methyl-2-quinolinyl)phenyl]morpholine;hydrochloride::SMR000264721::cid_12006251::4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride::MLS000417979::4-[4-(4-methyl-2-quinolyl)phenyl]morpholine;hydrochloride Orexin/Hypocretin receptor type 1 Homo sapiens 2369 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51057 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51057&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4883936 252631294 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149417 COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 InChI=1S/C23H19N3O4S/c1-30-22-12-5-4-11-20(22)26-31(28,29)18-9-6-8-17(15-18)24-23(27)21-14-13-16-7-2-3-10-19(16)25-21/h2-15,26H,1H3,(H,24,27) QEXWIBSUYZXMOH-UHFFFAOYSA-N 54268 N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-quinolinecarboxamide::cid_4010113::N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-2-carboxamide::SMR000247801::MLS000393643::N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]quinaldamide Orexin/Hypocretin receptor type 1 Homo sapiens 1535 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=54268 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=54268&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4010113 252634299 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149418 CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccccc2)cc1 InChI=1S/C28H31N5O2/c1-4-32(5-2)23-17-15-22(16-18-23)30-26(34)19-33-25-14-10-9-13-24(25)31-27(33)20(3)29-28(35)21-11-7-6-8-12-21/h6-18,20H,4-5,19H2,1-3H3,(H,29,35)(H,30,34) DGBMPKRZFCDWPY-UHFFFAOYSA-N 55639 MLS000416443::N-[1-[1-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-benzimidazolyl]ethyl]benzamide::cid_3972218::N-[1-[1-[2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]benzamide::SMR000264280::N-[1-[1-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide::N-[1-[1-[2-[4-(diethylamino)anilino]-2-keto-ethyl]benzimidazol-2-yl]ethyl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 106.15 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=55639 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=55639&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3972218 252635632 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149419 COc1ccc(CNC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 InChI=1S/C26H25N3O5S/c1-33-19-10-8-17(9-11-19)14-28-24(30)16-34-26(32)22(29-25(31)23-7-4-12-35-23)13-18-15-27-21-6-3-2-5-20(18)21/h2-12,15,22,27H,13-14,16H2,1H3,(H,28,30)(H,29,31) FAWYIQXHIRKEBJ-UHFFFAOYSA-N 79860 cid_15945167::[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate::SMR000261397::(2S)-3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester::MLS000392491::[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate::(2S)-3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-keto-2-(p-anisylamino)ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 26893 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79860 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79860&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 15945167 252656505 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149420 CNC(=O)NC(=O)C(C)OC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12 InChI=1S/C23H21N3O4S/c1-13(21(27)26-23(29)24-2)30-22(28)19-16-7-3-4-8-18(16)25-20-14(9-10-17(19)20)12-15-6-5-11-31-15/h3-8,11-13H,9-10H2,1-2H3,(H2,24,26,27,29) PVBRULDDFBPVHE-UHFFFAOYSA-N 79861 MLS000389221::[1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::SMR000255494::(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester::cid_6223700::[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::(3E)-3-(2-thenylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 4117 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79861 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79861&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6223700 252656506 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149421 Cc1c(oc2c1ccc1ccccc21)C(=O)OCC(=O)NCCN1C(=O)CSC1=O InChI=1S/C21H18N2O6S/c1-12-14-7-6-13-4-2-3-5-15(13)19(14)29-18(12)20(26)28-10-16(24)22-8-9-23-17(25)11-30-21(23)27/h2-7H,8-11H2,1H3,(H,22,24) OPKQYOFSHKVQFK-UHFFFAOYSA-N 79862 SMR000254088::[2-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate::cid_2478417::MLS000336534::[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate::3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[2-(2,4-dioxo-3-thiazolidinyl)ethylamino]-2-oxoethyl] ester::3-methylbenzo[g]benzofuran-2-carboxylic acid [2-[2-(2,4-diketothiazolidin-3-yl)ethylamino]-2-keto-ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 1227 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79862 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79862&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2478417 252656507 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149422 Oc1cccc(c1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21 InChI=1S/C18H12N2O4S/c21-13-5-3-4-11(8-13)17(23)24-10-12-9-16(22)20-14-6-1-2-7-15(14)25-18(20)19-12/h1-9,21H,10H2 XPXALAIYTFJSFZ-UHFFFAOYSA-N 79863 SMR000241841::cid_2549470::MLS000416822::(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-oxidanylbenzoate::3-hydroxybenzoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester::(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-hydroxybenzoate::3-hydroxybenzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 5459 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79863 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79863&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2549470 252656508 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149423 O=C(Nc1cccc(c1)S(=O)(=O)NCc1ccco1)c1cc(nc2ccccc12)-c1ccccc1 InChI=1S/C27H21N3O4S/c31-27(24-17-26(19-8-2-1-3-9-19)30-25-14-5-4-13-23(24)25)29-20-10-6-12-22(16-20)35(32,33)28-18-21-11-7-15-34-21/h1-17,28H,18H2,(H,29,31) RBWBPJCJKURJSA-UHFFFAOYSA-N 79864 SMR000242241::N-[3-(2-furanylmethylsulfamoyl)phenyl]-2-phenyl-4-quinolinecarboxamide::MLS000374324::N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenyl-quinoline-4-carboxamide::cid_3320490::N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide::N-[3-(2-furfurylsulfamoyl)phenyl]-2-phenyl-cinchoninamide Orexin/Hypocretin receptor type 1 Homo sapiens 2978 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79864 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79864&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3320490 252656509 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149424 Fc1ccc(cc1)-c1cc(C(=O)Nc2cccc(c2)S(=O)(=O)NCc2ccco2)c2ccccc2n1 InChI=1S/C27H20FN3O4S/c28-19-12-10-18(11-13-19)26-16-24(23-8-1-2-9-25(23)31-26)27(32)30-20-5-3-7-22(15-20)36(33,34)29-17-21-6-4-14-35-21/h1-16,29H,17H2,(H,30,32) KUJAJRBKFGZHRW-UHFFFAOYSA-N 79865 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide::MLS000336759::SMR000244074::2-(4-fluorophenyl)-N-[3-(2-furanylmethylsulfamoyl)phenyl]-4-quinolinecarboxamide::cid_5237327::2-(4-fluorophenyl)-N-[3-(2-furfurylsulfamoyl)phenyl]cinchoninamide Orexin/Hypocretin receptor type 1 Homo sapiens 6131 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79865 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79865&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5237327 252656510 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149425 Clc1cc(Cl)c(cc1C(=O)NCCN1C(=O)S\C(=C/c2ccccc2)C1=O)S(=O)(=O)N1CCOCC1 InChI=1S/C23H21Cl2N3O6S2/c24-17-14-18(25)20(36(32,33)27-8-10-34-11-9-27)13-16(17)21(29)26-6-7-28-22(30)19(35-23(28)31)12-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,26,29) YDAUPXMZSDTYOR-UHFFFAOYSA-N 79866 SMR000248061::N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide::N-[2-[(5Z)-2,4-bis(oxidanylidene)-5-(phenylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzamide::MLS000393249::cid_5774232::2,4-dichloro-N-[2-[(5Z)-2,4-dioxo-5-(phenylmethylene)-3-thiazolidinyl]ethyl]-5-(4-morpholinylsulfonyl)benzamide::N-[2-[(5Z)-5-benzal-2,4-diketo-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholinosulfonyl-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 20252 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79866 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79866&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5774232 252656511 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149426 Cc1ccsc1C=NNC1=c2ccccc2=NC1=O |w:7.8,c:10,17| InChI=1S/C14H11N3OS/c1-9-6-7-19-12(9)8-15-17-13-10-4-2-3-5-11(10)16-14(13)18/h2-8H,1H3,(H,16,17,18) WJDPJPVBZDKEQV-UHFFFAOYSA-N 79867 cid_802683::SMR000271121::3-methyl-2-thiophenecarbaldehyde (2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazone::MLS000676947::3-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-2-indolone::3-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]indol-2-one::3-[N'-[(3-methyl-2-thienyl)methylene]hydrazino]indol-2-one Orexin/Hypocretin receptor type 1 Homo sapiens 2357 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79867 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79867&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6898433 252656512 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149427 Oc1cc(C=Cc2c(F)cccc2Cl)nc2ccccc12 |w:4.3| InChI=1S/C17H11ClFNO/c18-14-5-3-6-15(19)12(14)9-8-11-10-17(21)13-4-1-2-7-16(13)20-11/h1-10H,(H,20,21) IOCDUGJOPNOXSY-UHFFFAOYSA-N 79868 2-[2-(2-chloro-6-fluorophenyl)vinyl]-4-quinolinol::MLS000862522::cid_5740575::2-[(E)-2-(2-chloranyl-6-fluoranyl-phenyl)ethenyl]-1H-quinolin-4-one::2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1H-quinolin-4-one::SMR000300579::2-[(E)-2-(2-chloro-6-fluoro-phenyl)vinyl]-4-quinolone Orexin/Hypocretin receptor type 1 Homo sapiens 3142 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79868 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79868&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5740575 252656513 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149428 Clc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NNC1=c2ccccc2=NC1=O |c:23,30| InChI=1S/C21H15ClN4O4S/c22-16-9-2-4-11-18(16)26-31(29,30)14-7-5-6-13(12-14)20(27)25-24-19-15-8-1-3-10-17(15)23-21(19)28/h1-12,26H,(H,25,27)(H,23,24,28) AFPQKCVQSKKKEM-UHFFFAOYSA-N 79869 N-(2-chlorophenyl)-3-[oxo-[(2-oxo-3-indolyl)hydrazo]methyl]benzenesulfonamide::MLS000401526::N-(2-chlorophenyl)-3-[[(2-oxoindol-3-yl)amino]carbamoyl]benzenesulfonamide::N-(2-chlorophenyl)-3-[[(2-oxidanylideneindol-3-yl)amino]carbamoyl]benzenesulfonamide::SMR000243241::cid_5853451::N-(2-chlorophenyl)-3-[[(2-ketoindol-3-yl)amino]carbamoyl]benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 1012 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79869 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79869&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5853451 252656514 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149429 Clc1ccc(C=NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 InChI=1S/C23H19ClN4O2S/c24-17-9-7-15(8-10-17)13-26-28-22(29)20(27-23(30)21-6-3-11-31-21)12-16-14-25-19-5-2-1-4-18(16)19/h1-11,13-14,20,25H,12H2,(H,27,30)(H,28,29) SMDSENIYQGHCLF-UHFFFAOYSA-N 79870 SMR000260906::cid_4228026::N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide::N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide::MLS000391873::N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide::N-[2-[N'-(4-chlorobenzylidene)hydrazino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 3285 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79870 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79870&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4228026 252656515 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149430 Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12 InChI=1S/C21H15BrClN3O3S3/c22-16-8-9-18(20-15(16)2-1-3-17(20)23)31-12-19(27)25-13-4-6-14(7-5-13)32(28,29)26-21-24-10-11-30-21/h1-11H,12H2,(H,24,26)(H,25,27) LFEWVFGQDZKNAT-UHFFFAOYSA-N 43128 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide::2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide::MLS000336743::SMR000244058::cid_2351884::2-[(4-bromo-8-chloro-1-naphthalenyl)thio]-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide::2-[(4-bromo-8-chloro-1-naphthyl)thio]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 1434 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43128 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43128&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2351884 252623812 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149431 CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1 InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3 ZWZJQNSDEXBTRV-UHFFFAOYSA-N 49735 MLS000718028::N,N-dimethyl-4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)aniline::cid_865623::SMR000279596::dimethyl-[4-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]phenyl]amine Orexin/Hypocretin receptor type 1 Homo sapiens 3585 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49735 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49735&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 865623 252630010 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149432 OCC1(Cc2cccc(Cl)c2)CCCN(Cc2ccc3cc(F)ccc3n2)C1 InChI=1S/C23H24ClFN2O/c24-19-4-1-3-17(11-19)13-23(16-28)9-2-10-27(15-23)14-21-7-5-18-12-20(25)6-8-22(18)26-21/h1,3-8,11-12,28H,2,9-10,13-16H2 JJNLXONZPYBNTJ-UHFFFAOYSA-N 74922 [3-[(3-chlorophenyl)methyl]-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-3-yl]methanol::[3-[(3-chlorophenyl)methyl]-1-[(6-fluoranylquinolin-2-yl)methyl]piperidin-3-yl]methanol::{3-(3-chlorobenzyl)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-3-yl}methanol::MLS000734704::cid_16188789::[3-[(3-chlorophenyl)methyl]-1-[(6-fluoro-2-quinolinyl)methyl]-3-piperidinyl]methanol::SMR000317914::[3-(3-chlorobenzyl)-1-[(6-fluoro-2-quinolyl)methyl]-3-piperidyl]methanol Orexin/Hypocretin receptor type 1 Homo sapiens 6331 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=74922 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=74922&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16188789 252652140 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149433 O=C(NC(=S)Nc1nc(cs1)-c1ccccc1)c1ccco1 InChI=1S/C15H11N3O2S2/c19-13(12-7-4-8-20-12)17-14(21)18-15-16-11(9-22-15)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19,21) PXKKBCJSETYFNQ-UHFFFAOYSA-N 79871 cid_738234::SMR000268375::N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide::N-{[(4-phenyl-1,3-thiazol-2-yl)amino]carbonothioyl}-2-furamide::MLS000684915::N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide::N-[(4-phenylthiazol-2-yl)thiocarbamoyl]-2-furamide Orexin/Hypocretin receptor type 1 Homo sapiens 7375 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79871 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79871&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 738234 252656516 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149434 Brc1ccc(C=NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 InChI=1S/C23H19BrN4O2S/c24-17-9-7-15(8-10-17)13-26-28-22(29)20(27-23(30)21-6-3-11-31-21)12-16-14-25-19-5-2-1-4-18(16)19/h1-11,13-14,20,25H,12H2,(H,27,30)(H,28,29) OHFBWJDDFOHHKS-UHFFFAOYSA-N 79872 N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide::SMR000260907::cid_3289794::N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide::MLS000391874::N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide::N-[2-[N'-(4-bromobenzylidene)hydrazino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 2990 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79872 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79872&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3289794 252656517 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149435 S=c1[nH]nc(-c2cc([nH]n2)-c2ccccc2)n1N=Cc1c2ccccc2cc2ccccc12 |w:17.19| InChI=1S/C26H18N6S/c33-26-31-30-25(24-15-23(28-29-24)17-8-2-1-3-9-17)32(26)27-16-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-16H,(H,28,29)(H,31,33) WCLOWKRTLPNLSV-UHFFFAOYSA-N 50443 MLS000331437::4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol::4-(9-anthracenylmethylideneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione::4-(anthracen-9-ylmethylideneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione::SMR000220896::cid_2066945::4-(9-anthrylmethyleneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Orexin/Hypocretin receptor type 1 Homo sapiens 585.02 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6891772 252630703 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149436 O=c1c2ccccc2nc2c3ccccc3c(NCc3ccccn3)nn12 InChI=1S/C21H15N5O/c27-21-17-10-3-4-11-18(17)24-20-16-9-2-1-8-15(16)19(25-26(20)21)23-13-14-7-5-6-12-22-14/h1-12H,13H2,(H,23,25) RMLJAQSENLLFPC-UHFFFAOYSA-N 47623 cid_1186195::MLS000662082::5-(2-pyridinylmethylamino)-8-quinazolino[2,3-a]phthalazinone::5-(pyridin-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one::5-[(2-pyridinylmethyl)amino]-8H-phthalazino[1,2-b]quinazolin-8-one::SMR000292747::5-(2-pyridylmethylamino)quinazolino[2,3-a]phthalazin-8-one Orexin/Hypocretin receptor type 1 Homo sapiens 4958 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47623 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47623&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1186195 252627931 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149437 CCc1c(C)sc(NC(=S)Nc2nc(C)cc(C)n2)c1C(=O)OC InChI=1S/C16H20N4O2S2/c1-6-11-10(4)24-13(12(11)14(21)22-5)19-16(23)20-15-17-8(2)7-9(3)18-15/h7H,6H2,1-5H3,(H2,17,18,19,20,23) DSEPPZYBGDBBPB-UHFFFAOYSA-N 53624 MLS000666391::methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate::2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester::SMR000294212::methyl 2-({[(4,6-dimethyl-2-pyrimidinyl)amino]carbonothioyl}amino)-4-ethyl-5-methyl-3-thiophenecarboxylate::cid_2207742::methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate::2-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 2231 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=53624 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=53624&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2207742 252633664 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149438 Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17| InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21) ZHHRPVBWMDMZBF-UHFFFAOYSA-N 52609 1-(4-hydroxyphenyl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea::cid_5345764::1H-indole-2,3-dione 3-[N-(4-hydroxyphenyl)thiosemicarbazone]::1-(4-hydroxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea::SMR000298023::MLS000673957::1-(4-hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea::1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thiourea Orexin/Hypocretin receptor type 1 Homo sapiens 3238 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52609 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=52609&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5345764 252632749 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149439 COc1cccc(CN=Nc2cc(C)nc(n2)-c2ccccc2O)c1O |w:9.9| InChI=1S/C19H18N4O3/c1-12-10-17(22-19(21-12)14-7-3-4-8-15(14)24)23-20-11-13-6-5-9-16(26-2)18(13)25/h3-10,24-25H,11H2,1-2H3 KGDAEESPJASVED-UHFFFAOYSA-N 57837 SMR000274167::cid_5753096::(6E)-2-methoxy-6-[[2-[(2E)-6-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::(6E)-2-methoxy-6-[[2-[(2E)-6-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::MLS000714187::(6E)-2-methoxy-6-[[[(2E)-6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-yl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone::(6E)-6-[[N'-[(2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-4-yl]hydrazino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Orexin/Hypocretin receptor type 1 Homo sapiens 2912 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57837 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57837&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91897335 252637757 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149440 O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20) XDHSYBVDZZESJO-UHFFFAOYSA-N 43882 cid_803256::N-[(8-quinolinylamino)-sulfanylidenemethyl]-2-thiophenecarboxamide::N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide::MLS000688132::SMR000284302::N-(8-quinolylthiocarbamoyl)thiophene-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens >3.31 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43882 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43882&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 803256 252624510 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149441 COc1cc(OC)c(cc1OC)-c1nc2ccccc2s1 InChI=1S/C16H15NO3S/c1-18-12-9-14(20-3)13(19-2)8-10(12)16-17-11-6-4-5-7-15(11)21-16/h4-9H,1-3H3 JOYFHMJAXMRBJM-UHFFFAOYSA-N 79873 SMR000290328::2-(2,4,5-trimethoxyphenyl)-1,3-benzothiazole::cid_1087077::MLS000764723::2-asaryl-1,3-benzothiazole Orexin/Hypocretin receptor type 1 Homo sapiens 460.07 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79873 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79873&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1087077 252656518 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149442 NS(=O)(=O)c1ccc(CNC(=O)c2cc(nc3ccc(Cl)cc23)-c2ccccn2)cc1 InChI=1S/C22H17ClN4O3S/c23-15-6-9-19-17(11-15)18(12-21(27-19)20-3-1-2-10-25-20)22(28)26-13-14-4-7-16(8-5-14)31(24,29)30/h1-12H,13H2,(H,26,28)(H2,24,29,30) GXOHYVMGAJUGMV-UHFFFAOYSA-N 47322 MLS000862510::cid_1261960::6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide::N-[4-(aminosulfonyl)benzyl]-6-chloro-2-(2-pyridinyl)-4-quinolinecarboxamide::6-chloro-2-(2-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]-4-quinolinecarboxamide::SMR000300563::6-chloranyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide::6-chloro-2-(2-pyridyl)-N-(4-sulfamoylbenzyl)cinchoninamide Orexin/Hypocretin receptor type 1 Homo sapiens 2458 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47322 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47322&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1261960 252627678 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149443 Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=CC(Br)=Cc1ccccc1 |w:14.15,18.20| InChI=1S/C18H15BrN4O2/c1-12-7-8-17(25-12)15-10-16(22-21-15)18(24)23-20-11-14(19)9-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)(H,23,24) NECFKNBGKKRENB-UHFFFAOYSA-N 79874 cid_16193452::N'-[(1E,2Z)-2-bromo-3-phenylprop-2-enylidene]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carbohydrazide::N-[[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide::MLS000723692::N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(5-methyl-2-furanyl)-1H-pyrazole-3-carboxamide::SMR000305287::N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide::N-[[(Z)-2-bromo-3-phenyl-prop-2-enylidene]amino]-5-(5-methyl-2-furyl)-1H-pyrazole-3-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 5873 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79874 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79874&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 9692483 252656519 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149444 COc1ccccc1C(=O)Nc1nc2cc3OCCOc3cc2s1 InChI=1S/C17H14N2O4S/c1-21-12-5-3-2-4-10(12)16(20)19-17-18-11-8-13-14(9-15(11)24-17)23-7-6-22-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20) RXKONCCSUNTPRJ-UHFFFAOYSA-N 49884 MLS000419565::N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide::cid_7189883::SMR000320309::N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxy-benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 1952 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49884 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49884&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 7189883 252630159 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149445 O=C(CSc1ccc(nn1)-c1cccs1)c1cccs1 InChI=1S/C14H10N2OS3/c17-11(13-4-2-8-19-13)9-20-14-6-5-10(15-16-14)12-3-1-7-18-12/h1-8H,9H2 BUEYTYZOCKWHHR-UHFFFAOYSA-N 75994 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanyl-ethanone::1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone::SMR000323960::1-thiophen-2-yl-2-[(6-thiophen-2-yl-3-pyridazinyl)thio]ethanone::cid_7207253::MLS000678474::1-(2-thienyl)-2-[[6-(2-thienyl)pyridazin-3-yl]thio]ethanone Orexin/Hypocretin receptor type 1 Homo sapiens 2276 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75994 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75994&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 7207253 252653185 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149446 CCOC(=O)N1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 InChI=1S/C19H22N4O3S/c1-2-26-19(25)23-12-10-22(11-13-23)18(24)14-27-17-9-8-16(20-21-17)15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3 YLEXSMFDLLESHA-UHFFFAOYSA-N 79875 SMR000323814::MLS000678576::cid_7205716::ethyl 4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazine-1-carboxylate::ethyl 4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazine-1-carboxylate::4-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester::4-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 2116 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79875 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79875&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 7205716 252656520 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149447 O=C(CSc1ccc(nn1)-c1ccccc1)c1cccs1 InChI=1S/C16H12N2OS2/c19-14(15-7-4-10-20-15)11-21-16-9-8-13(17-18-16)12-5-2-1-3-6-12/h1-10H,11H2 ZCTMFGPZGXXKJE-UHFFFAOYSA-N 79876 MLS000678570::cid_7205744::2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone::2-[(6-phenyl-3-pyridazinyl)thio]-1-thiophen-2-ylethanone::2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-yl-ethanone::SMR000323817::2-[(6-phenylpyridazin-3-yl)thio]-1-(2-thienyl)ethanone Orexin/Hypocretin receptor type 1 Homo sapiens 1085 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79876 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79876&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 7205744 252656521 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149448 COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1 InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1 YBINXMKLOILQMU-UHFFFAOYSA-N 68132 cid_16195070::2-[2-[(4-methoxyphenoxy)methyl]-3-methyl-1-benzimidazol-3-iumyl]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester;chloride::1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-2-[(4-methoxyphenoxy)methyl]-3-methyl-1H-3,1-benzimidazol-3-ium::(5-methyl-2-propan-2-ylcyclohexyl) 2-[2-[(4-methoxyphenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate;chloride::MLS000766719::SMR000339615::(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate;chloride::2-[2-[(4-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester;chloride Orexin/Hypocretin receptor type 1 Homo sapiens 63052 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68132 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68132&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3576902 252646410 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149449 CN(C)\C=C1\Oc2c(ccc3ccccc23)C1=O InChI=1S/C15H13NO2/c1-16(2)9-13-14(17)12-8-7-10-5-3-4-6-11(10)15(12)18-13/h3-9H,1-2H3 IPKDJMFWSTXQLF-UHFFFAOYSA-N 79877 2-[(dimethylamino)methylene]naphtho[1,2-b]furan-3(2H)-one::(2E)-2-(dimethylaminomethylidene)benzo[g][1]benzofuran-3-one::SMR000334673::(2E)-2-(dimethylaminomethylidene)-3-benzo[g]benzofuranone::cid_1471594::MLS000695036::(2E)-2-(dimethylaminomethylene)benzo[g]benzofuran-3-one Orexin/Hypocretin receptor type 1 Homo sapiens 2057 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79877 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79877&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1471594 252656522 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149450 Cc1nc2c(cnn2c2CCCc12)-c1ccc(Cl)cc1 InChI=1S/C16H14ClN3/c1-10-13-3-2-4-15(13)20-16(19-10)14(9-18-20)11-5-7-12(17)8-6-11/h5-9H,2-4H2,1H3 LEFMWIRVZAQPMC-UHFFFAOYSA-N 79878 SMR000337085::3-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine::MLS000721451::cid_1477883 Orexin/Hypocretin receptor type 1 Homo sapiens 4592 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79878 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79878&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1477883 242053727 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149451 Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)cc(=O)n2[nH]1 |(13.85,-2.9,;12.31,-2.9,;11.41,-4.14,;9.94,-3.67,;9.94,-2.13,;8.7,-1.22,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)| InChI=1S/C17H16N4OS/c1-10-8-16(22)21-15(18-10)9-13(19-21)17-14(6-7-23-17)20-11(2)4-5-12(20)3/h4-9,19H,1-3H3 BGSMGRPUSYWWHJ-UHFFFAOYSA-N 79879 2-[3-(2,5-dimethyl-1-pyrrolyl)-2-thiophenyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one::cid_4360235::SMR000338240::2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-ol::2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one::MLS000736290::2-[3-(2,5-dimethylpyrrol-1-yl)-2-thienyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Orexin/Hypocretin receptor type 1 Homo sapiens 4645 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79879 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79879&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4360235 252656523 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149452 N#Cc1cccn1-c1nccc(n1)-c1cccs1 InChI=1S/C13H8N4S/c14-9-10-3-1-7-17(10)13-15-6-5-11(16-13)12-4-2-8-18-12/h1-8H KCSQDLWGFXTURN-UHFFFAOYSA-N 79880 cid_3555442::1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrole-2-carbonitrile::MLS000721462::1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbonitrile::1-(4-thiophen-2-yl-2-pyrimidinyl)-2-pyrrolecarbonitrile::SMR000337091::1-[4-(2-thienyl)pyrimidin-2-yl]pyrrole-2-carbonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 3663 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79880 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79880&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3555442 252656524 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149453 Nc1c(sc2nc3CCCCc3cc12)-c1nc(N)nc(n1)N1CCOCC1 InChI=1S/C18H21N7OS/c19-13-11-9-10-3-1-2-4-12(10)21-16(11)27-14(13)15-22-17(20)24-18(23-15)25-5-7-26-8-6-25/h9H,1-8,19H2,(H2,20,22,23,24) BONGLMPHHVQSIR-UHFFFAOYSA-N 79881 MLS000682844::SMR000312201::2-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine::2-[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine::2-(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine::cid_1504905::[2-(4-amino-6-morpholino-s-triazin-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-yl]amine Orexin/Hypocretin receptor type 1 Homo sapiens 797.09 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79881 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79881&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1504905 252656525 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149454 C=CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1 InChI=1S/C22H21N7O2/c1-2-14-23-18(30)12-13-19(31)26-27-22-24-17-11-7-6-10-16(17)21-25-20(28-29(21)22)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,23,30)(H,24,27)(H,26,31) XMNJCICKJODNJW-UHFFFAOYSA-N 79882 SMR000309583::N-allyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide::cid_16195424::4-oxidanylidene-4-[2-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-N-prop-2-enyl-butanamide::4-oxo-4-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-N-prop-2-enylbutanamide::MLS000731308::4-oxo-4-[2-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-N-prop-2-enylbutanamide::N-allyl-4-keto-4-[N'-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butyramide Orexin/Hypocretin receptor type 1 Homo sapiens 1201 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79882 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79882&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16195424 252656526 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149455 OC(=O)c1ccc(cc1)-n1c(O)cc(SC(NCc2ccc3OCOc3c2)=Nc2ccc(F)cc2)c1O |w:27.30| InChI=1S/C26H20FN3O6S/c27-17-4-6-18(7-5-17)29-26(28-13-15-1-10-20-21(11-15)36-14-35-20)37-22-12-23(31)30(24(22)32)19-8-2-16(3-9-19)25(33)34/h1-12,31-32H,13-14H2,(H,28,29)(H,33,34) DWWTVFIKEIGFEP-UHFFFAOYSA-N 79883 SMR000313486::4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-fluorophenyl)imino]methyl}thio)-2,5-dioxopyrrolidin-1-yl]benzoic acid::4-[3-[[1,3-benzodioxol-5-ylmethylimino-(4-fluoroanilino)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid::MLS000682083::4-[3-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid::cid_3897375::4-[3-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid::4-[3-[[N-(4-fluorophenyl)-N'-piperonyl-amidino]thio]-2,5-diketo-pyrrolidino]benzoic acid Orexin/Hypocretin receptor type 1 Homo sapiens 24528 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79883 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79883&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898286 252656527 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149456 Cc1cc(O)cc2c1sc1ccccc1c2=O InChI=1S/C14H10O2S/c1-8-6-9(15)7-11-13(16)10-4-2-3-5-12(10)17-14(8)11/h2-7,15H,1H3 LHXGLTZNCXCSKG-UHFFFAOYSA-N 79884 4-methyl-2-oxidanyl-thioxanthen-9-one::MLS000682065::SMR000313468::cid_2866993::2-hydroxy-4-methylthioxanthen-9-one::2-hydroxy-4-methyl-9-thioxanthenone::2-hydroxy-4-methyl-9H-thioxanthen-9-one::2-hydroxy-4-methyl-thioxanthen-9-one Orexin/Hypocretin receptor type 1 Homo sapiens 3643 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79884 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79884&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2866993 252656528 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149457 CCOC(=O)c1ccc2[nH]c3ccccc3c2c1 InChI=1S/C15H13NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h3-9,16H,2H2,1H3 NLLKBEGFXZYBFX-UHFFFAOYSA-N 79885 ethyl 9H-carbazole-3-carboxylate::SMR000386943::MLS001049111::cid_1935506::9H-carbazole-3-carboxylic acid ethyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 1985 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79885 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79885&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1935506 252656529 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149458 CCN(CC)P(=O)(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1NC(=O)c1ccco1)N(C)C InChI=1S/C24H28F3N4O3P/c1-5-31(6-2)35(33,29-18-10-7-9-17(15-18)24(25,26)27)22-13-12-19(30(3)4)16-20(22)28-23(32)21-11-8-14-34-21/h7-16H,5-6H2,1-4H3,(H,28,32)(H,29,33) OCQYRCACOUHQPZ-UHFFFAOYSA-N 47383 N-[2-[diethylamino-[[3-(trifluoromethyl)phenyl]amino]phosphoryl]-5-(dimethylamino)phenyl]furan-2-carboxamide::N-[2-[diethylamino-[3-(trifluoromethyl)anilino]phosphoryl]-5-(dimethylamino)phenyl]-2-furancarboxamide::N-[2-[diethylamino-[3-(trifluoromethyl)anilino]phosphoryl]-5-(dimethylamino)phenyl]furan-2-carboxamide::cid_2320415::UNM000011097501::N-[2-[diethylamino-[3-(trifluoromethyl)anilino]phosphoryl]-5-(dimethylamino)phenyl]-2-furamide Orexin/Hypocretin receptor type 1 Homo sapiens 183.85 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47383 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47383&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2320415 252627695 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149459 OC1CN(Cc2cc(=O)n3ccsc3n2)c2c(C1)ccc1ccccc21 InChI=1S/C20H17N3O2S/c24-16-9-14-6-5-13-3-1-2-4-17(13)19(14)22(12-16)11-15-10-18(25)23-7-8-26-20(23)21-15/h1-8,10,16,24H,9,11-12H2 OJDHOYJFMJIZCR-UHFFFAOYSA-N 79886 7-[(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one::MLS001004428::7-[(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)methyl]-5-thiazolo[3,2-a]pyrimidinone::SMR000348066::cid_3902315::7-[(3-oxidanyl-3,4-dihydro-2H-benzo[h]quinolin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one::7-[(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)methyl]thiazolo[3,2-a]pyrimidin-5-one Orexin/Hypocretin receptor type 1 Homo sapiens 4124 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79886 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79886&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3902315 252656530 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149460 CCN(C(=O)CSc1ncnc2sc(CC)cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O InChI=1S/C23H24N6O3S2/c1-3-15-10-16-21(25-13-26-22(16)34-15)33-12-17(30)28(4-2)18-19(24)29(23(32)27-20(18)31)11-14-8-6-5-7-9-14/h5-10,13H,3-4,11-12,24H2,1-2H3,(H,27,31,32) IKLCUSCNODDJJL-UHFFFAOYSA-N 79887 MLS000877972::cid_2527292::N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide::SMR000376892::N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide::N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide::N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 340.22 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79887 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79887&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2527292 252656531 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149461 Cc1cc(C)nc(NC(N)=Nc2ccc(SC(F)F)cc2)n1 |w:10.10| InChI=1S/C14H15F2N5S/c1-8-7-9(2)19-14(18-8)21-13(17)20-10-3-5-11(6-4-10)22-12(15)16/h3-7,12H,1-2H3,(H3,17,18,19,20,21) KGZHVZIZJVEIKU-UHFFFAOYSA-N 79888 cid_1992051::MLS001032887::SMR000363445::1-[4-(difluoromethylthio)phenyl]-2-(4,6-dimethyl-2-pyrimidinyl)guanidine::1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine::1-[4-(difluoromethylsulfanyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine::1-[4-(difluoromethylthio)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Orexin/Hypocretin receptor type 1 Homo sapiens 56953 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79888 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79888&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16238272 252656532 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149462 CN(C1CCCCC1)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O InChI=1S/C27H32N4O6S/c1-19-25(26(33)31(30(19)3)22-14-8-5-9-15-22)28-38(35,36)23-16-10-11-20(17-23)27(34)37-18-24(32)29(2)21-12-6-4-7-13-21/h5,8-11,14-17,21,28H,4,6-7,12-13,18H2,1-3H3 DDDBKMDXAQXLON-UHFFFAOYSA-N 79889 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester::[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate::cid_2404639::[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate::SMR000372491::MLS000774718::3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 141.96 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79889 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79889&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2404639 252656533 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149463 Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C22H21FN4O3S/c23-18-6-8-19(9-7-18)25-31(29,30)20-10-4-17(5-11-20)22(28)27-15-13-26(14-16-27)21-3-1-2-12-24-21/h1-12,25H,13-16H2 HXVLXVBIEVNEAI-UHFFFAOYSA-N 79890 SMR000371452::N-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide::MLS000776449::N-(4-fluorophenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]benzenesulfonamide::N-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide::cid_3923182::N-(4-fluorophenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 4448 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79890 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79890&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3923182 252656534 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149464 Cc1nn(c(C)c1P(=S)(c1nccn1C=C)c1nccn1C=C)-c1ccccc1 InChI=1S/C21H21N6PS/c1-5-25-14-12-22-20(25)28(29,21-23-13-15-26(21)6-2)19-16(3)24-27(17(19)4)18-10-8-7-9-11-18/h5-15H,1-2H2,3-4H3 OWJYZVYHLGHHMK-UHFFFAOYSA-N 79891 MLS000879924::cid_2999024::(3,5-dimethyl-1-phenylpyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene--phosphane::(3,5-dimethyl-1-phenyl-4-pyrazolyl)-bis(1-ethenyl-2-imidazolyl)-sulfanylidenephosphorane::SMR000060622::(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-bis(1-ethenylimidazol-2-yl)-sulfanylidene--phosphane::(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-thioxo-bis(1-vinylimidazol-2-yl)phosphorane Orexin/Hypocretin receptor type 1 Homo sapiens 570.67 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79891 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79891&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2999024 252656535 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149465 COc1cc2c(cc1NC(=O)CSc1nnc(-c3cnccn3)n1CC=C)oc1ccccc21 InChI=1S/C24H20N6O3S/c1-3-10-30-23(18-13-25-8-9-26-18)28-29-24(30)34-14-22(31)27-17-12-20-16(11-21(17)32-2)15-6-4-5-7-19(15)33-20/h3-9,11-13H,1,10,14H2,2H3,(H,27,31) HDCVYPKOQQHUOW-UHFFFAOYSA-N 79892 cid_663049::N-(2-methoxydibenzofuran-3-yl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-(2-methoxy-3-dibenzofuranyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(2-methoxydibenzofuran-3-yl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::SMR000043694::MLS000829588::2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxydibenzofuran-3-yl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 339.33 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79892 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79892&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 663049 252656536 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149466 Cc1ccc(NC2=NC(=O)C(S2)=Cc2cccn2C)cc1C |w:12.13,t:6| InChI=1S/C17H17N3OS/c1-11-6-7-13(9-12(11)2)18-17-19-16(21)15(22-17)10-14-5-4-8-20(14)3/h4-10H,1-3H3,(H,18,19,21) GHYZZNGAQPUIDR-UHFFFAOYSA-N 79893 SMR000436533::cid_2003091::(5Z)-2-[(3,4-dimethylphenyl)amino]-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one::MLS000333217::2-[(E)-3,4-Dimethyl-phenylimino]-5-[1-(1-methyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-thiazolidin-4-one::(5Z)-2-(3,4-dimethylanilino)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-thiazolone::(5Z)-2-(3,4-dimethylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one::(5Z)-2-(3,4-dimethylanilino)-5-[(1-methylpyrrol-2-yl)methylene]-2-thiazolin-4-one Orexin/Hypocretin receptor type 1 Homo sapiens 2199 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79893 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79893&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2003091 252656537 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149467 COc1ccc(OC)c(C=NNC(=O)c2cc3c(OC)cc(OC)cc3[nH]2)c1 InChI=1S/C20H21N3O5/c1-25-13-5-6-18(27-3)12(7-13)11-21-23-20(24)17-10-15-16(22-17)8-14(26-2)9-19(15)28-4/h5-11,22H,1-4H3,(H,23,24) MVNRBKINADTNIO-UHFFFAOYSA-N 79894 cid_1855624::SMR000439764::MLS000762801::N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide::4,6-Dimethoxy-1H-indole-2-carboxylic acid [1-(2,5-dimethoxy-phenyl)-meth-(E)-ylidene]-hydrazide::N-[(2,5-dimethoxybenzylidene)amino]-4,6-dimethoxy-1H-indole-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 1133 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79894 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79894&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1855624 252656538 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149468 CCN(CC)c1ccc(C=NNC(=O)c2ccco2)c(O)c1 |w:10.10| InChI=1S/C16H19N3O3/c1-3-19(4-2)13-8-7-12(14(20)10-13)11-17-18-16(21)15-6-5-9-22-15/h5-11,20H,3-4H2,1-2H3,(H,18,21) ZOHSDJUPFBCELP-UHFFFAOYSA-N 52851 SMR000414541::Furan-2-carboxylic acid [1-(4-diethylamino-2-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide::N'-[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]furan-2-carbohydrazide::N'-[(E)-[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]-2-furancarbohydrazide::cid_5898520::N'-[(E)-[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]furan-2-carbohydrazide::MLS000778146::N'-[(E)-[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methyl]-2-furohydrazide Orexin/Hypocretin receptor type 1 Homo sapiens 2834 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52851 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=52851&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5898520 252632987 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149469 Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3nsc(n3)-c3ccccc3)n12 InChI=1S/C21H16N6OS3/c1-13-7-9-14(10-8-13)16-11-29-20-24-25-21(27(16)20)30-12-17(28)22-19-23-18(31-26-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,26,28) RQCMBGOLKWZWSI-UHFFFAOYSA-N 79895 2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide::2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide::cid_2212701::2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide::2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)ethanamide::SMR000077305::MLS000862159::N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-[[5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazol-3-yl]thio]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 2526 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79895 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79895&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2212701 252656539 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149470 S=c1[nH]nc(-c2cc([nH]n2)-c2ccccc2)n1N=Cc1cccs1 |w:17.19| InChI=1S/C16H12N6S2/c23-16-21-20-15(22(16)17-10-12-7-4-8-24-12)14-9-13(18-19-14)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,21,23) VKVKLBBLGMJVQO-UHFFFAOYSA-N 79896 SMR000438115::MLS000762716::5-(5-Phenyl-2H-pyrazol-3-yl)-4-{[1-thiophen-2-yl-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol::cid_1402024::3-(3-phenyl-1H-pyrazol-5-yl)-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione::3-(3-phenyl-1H-pyrazol-5-yl)-4-(2-thenylideneamino)-1H-1,2,4-triazole-5-thione Orexin/Hypocretin receptor type 1 Homo sapiens 8079 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79896 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79896&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 6869836 252656540 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149471 CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:16.16| InChI=1S/C16H16N4O3S2/c1-20(2)25(21,22)14-7-5-12(6-8-14)15-11-24-16(18-15)19-17-10-13-4-3-9-23-13/h3-9,11H,10H2,1-2H3 UHTPDTVWEFXSFX-UHFFFAOYSA-N 79579 4-(2-{N'-[1-Furan-2-yl-meth-(Z)-ylidene]-hydrazino}-thiazol-4-yl)-N,N-dimethyl-benzenesulfonamide::4-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide::4-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide::MLS000778017::SMR000414411::cid_5091636::4-[2-[2-(2-furanylmethylidene)hydrazinyl]-4-thiazolyl]-N,N-dimethylbenzenesulfonamide::4-[2-[N'-(2-furfurylidene)hydrazino]thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 7294 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79579 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79579&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898269 252656227 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149472 CC(C)n1c(=O)[nH][nH]c1=S InChI=1S/C5H9N3OS/c1-3(2)8-4(9)6-7-5(8)10/h3H,1-2H3,(H,6,9)(H,7,10) PHDLLTVRFGQCDQ-UHFFFAOYSA-N 55921 MLS000859367::SMR000461244::4-propan-2-yl-5-sulfanylidene-1,2,4-triazolidin-3-one::cid_2743305::4-isopropyl-5-mercapto-4H-1,2,4-triazol-3-ol::4-isopropyl-5-thioxo-1,2,4-triazolidin-3-one Orexin/Hypocretin receptor type 1 Homo sapiens 7042 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=55921 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=55921&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2743305 252635900 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149473 Cc1ccc(C)n1-c1nn(c2cccc(F)c12)S(=O)(=O)c1cccc2cccnc12 |(6.6,-5.67,;8.06,-5.19,;9.31,-6.09,;10.56,-5.18,;10.07,-3.72,;10.98,-2.47,;8.53,-3.72,;7.62,-2.48,;8.09,-1.02,;6.85,-.12,;5.62,-1.02,;4.11,-.71,;3.08,-1.85,;3.56,-3.32,;5.07,-3.63,;5.54,-5.1,;6.09,-2.49,;6.85,1.42,;5.31,1.42,;8.39,1.42,;6.85,2.96,;5.52,3.73,;5.52,5.27,;6.85,6.04,;8.19,5.27,;9.57,6.09,;10.96,5.3,;10.96,3.69,;9.57,2.9,;8.19,3.73,)| InChI=1S/C22H17FN4O2S/c1-14-11-12-15(2)26(14)22-20-17(23)8-4-9-18(20)27(25-22)30(28,29)19-10-3-6-16-7-5-13-24-21(16)19/h3-13H,1-2H3 WGJKWEIOYXFSSO-UHFFFAOYSA-N 79897 MLS000850046::8-[[3-(2,5-dimethyl-1-pyrrolyl)-4-fluoro-1-indazolyl]sulfonyl]quinoline::8-{[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-fluoro-1H-indazol-1-yl]sulfonyl}quinoline::8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-indazol-1-yl]sulfonylquinoline::SMR000456064::cid_2809938::8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline::8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-indazol-1-yl]sulfonylquinoline Orexin/Hypocretin receptor type 1 Homo sapiens 1934 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79897 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79897&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2809938 252656541 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149474 Cn1c(N)c(sc1=S)C(=O)NN=Cc1ccccc1 InChI=1S/C12H12N4OS2/c1-16-10(13)9(19-12(16)18)11(17)15-14-7-8-5-3-2-4-6-8/h2-7H,13H2,1H3,(H,15,17) FDULOSNQQBHPAU-UHFFFAOYSA-N 79898 SMR000458643::4-azanyl-3-methyl-N-[(phenylmethylidene)amino]-2-sulfanylidene-1,3-thiazole-5-carboxamide::4-amino-3-methyl-N'-(phenylmethylene)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide::MLS000860559::cid_2813734::4-amino-3-methyl-N-[(phenylmethylene)amino]-2-sulfanylidene-5-thiazolecarboxamide::4-amino-N-(benzylideneamino)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide::4-amino-N-(benzalamino)-3-methyl-2-thioxo-4-thiazoline-5-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 1590 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79898 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79898&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2813734 252656542 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149475 Cc1noc(C)c1S(=O)(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl InChI=1S/C20H15ClN2O6S/c1-10-20(11(2)29-22-10)30(26,27)23-14-7-8-15(24)18-16(25)9-17(28-19(14)18)12-5-3-4-6-13(12)21/h3-9,23-24H,1-2H3 XKYBPHWVOXMRHI-UHFFFAOYSA-N 79899 SMR000465241::N-[2-(2-chlorophenyl)-5-hydroxy-4-oxochromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide::N-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-1-benzopyran-8-yl]-3,5-dimethyl-4-isoxazolesulfonamide::cid_16060398::N-[2-(2-chlorophenyl)-5-oxidanyl-4-oxidanylidene-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide::MLS000518522::N-[2-(2-chlorophenyl)-5-hydroxy-4-keto-chromen-8-yl]-3,5-dimethyl-isoxazole-4-sulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 150.66 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79899 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79899&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16060398 252656543 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149476 COc1ccc(cc1OC)S(=O)(=O)Nc1c(O)ccc2ccccc12 InChI=1S/C18H17NO5S/c1-23-16-10-8-13(11-17(16)24-2)25(21,22)19-18-14-6-4-3-5-12(14)7-9-15(18)20/h3-11,19-20H,1-2H3 URVWFIZXKWZNQS-UHFFFAOYSA-N 43334 PC-0626780::N-(2-hydroxy-1-naphthalenyl)-3,4-dimethoxybenzenesulfonamide::N-(2-hydroxynaphthalen-1-yl)-3,4-dimethoxybenzenesulfonamide::PCMD-CC-PAB-246::3,4-dimethoxy-N-(2-oxidanylnaphthalen-1-yl)benzenesulfonamide::cid_16738609::N-(2-hydroxy-1-naphthyl)-3,4-dimethoxy-benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 3147 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43334 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43334&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16738609 252624015 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149477 Oc1ccc2ccccc2c1NS(=O)(=O)c1cccc2ccccc12 InChI=1S/C20H15NO3S/c22-18-13-12-15-7-2-4-10-17(15)20(18)21-25(23,24)19-11-5-8-14-6-1-3-9-16(14)19/h1-13,21-22H FVNNRRJGTQAXGH-UHFFFAOYSA-N 63918 MLS001045580::N-(2-hydroxy-1-naphthalenyl)-1-naphthalenesulfonamide::SMR000469582::N-(2-hydroxynaphthalen-1-yl)naphthalene-1-sulfonamide::cid_16738608::N-(2-oxidanylnaphthalen-1-yl)naphthalene-1-sulfonamide::N-(2-hydroxy-1-naphthyl)naphthalene-1-sulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 2847 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=63918 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=63918&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16738608 252643017 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149478 CCOc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1OCC InChI=1S/C22H28N2O4/c1-3-27-19-13-7-5-11-17(19)21(25)23-15-9-10-16-24-22(26)18-12-6-8-14-20(18)28-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26) QGRXOHRCNSDPFV-UHFFFAOYSA-N 79900 2-ethoxy-N-[4-[(2-ethoxyphenyl)carbonylamino]butyl]benzamide::cid_2931287::SMR000476715::2-ethoxy-N-[4-[[(2-ethoxyphenyl)-oxomethyl]amino]butyl]benzamide::MLS001178864::2-ethoxy-N-{4-[(2-ethoxybenzoyl)amino]butyl}benzamide::2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 1259 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79900 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79900&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2931287 252656544 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149479 CCOc1ccccc1C(=O)NCCNC(=O)c1ccccc1OCC InChI=1S/C20H24N2O4/c1-3-25-17-11-7-5-9-15(17)19(23)21-13-14-22-20(24)16-10-6-8-12-18(16)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24) RBWCUBFRWWPRMW-UHFFFAOYSA-N 79901 2-ethoxy-N-[2-[(2-ethoxyphenyl)carbonylamino]ethyl]benzamide::SMR000476930::cid_1769368::MLS001180696::2-ethoxy-N-[2-[[(2-ethoxyphenyl)-oxomethyl]amino]ethyl]benzamide::2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide::2-ethoxy-N-[2-[(2-ethoxybenzoyl)amino]ethyl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 4154 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79901 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79901&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1769368 252656545 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149480 COc1cccc(OP(=O)(Nc2ccccc2)Oc2cccc(OC)c2)c1 InChI=1S/C20H20NO5P/c1-23-17-10-6-12-19(14-17)25-27(22,21-16-8-4-3-5-9-16)26-20-13-7-11-18(15-20)24-2/h3-15H,1-2H3,(H,21,22) QGSISOQHGKBIQO-UHFFFAOYSA-N 79902 SMR000477731::cid_1588119::N-bis(3-methoxyphenoxy)phosphorylaniline::bis(3-methoxyphenyl) phenylamidophosphate::MLS001179042::bis(3-methoxyphenoxy)phosphoryl-phenyl-amine Orexin/Hypocretin receptor type 1 Homo sapiens 9265 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79902 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79902&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1588119 252656546 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149481 C(N1CCN(CC1)C1CCCSc2ccccc12)c1ccccc1 InChI=1S/C21H26N2S/c1-2-7-18(8-3-1)17-22-12-14-23(15-13-22)20-10-6-16-24-21-11-5-4-9-19(20)21/h1-5,7-9,11,20H,6,10,12-17H2 DWOMXKJFILUXON-UHFFFAOYSA-N 79903 MLS001179386::SMR000475910::cid_23723175::1-(phenylmethyl)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine;hydrochloride::1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine;hydrochloride Orexin/Hypocretin receptor type 1 Homo sapiens 1586 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79903 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79903&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 210787 252656547 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149482 Cc1cccc(OCCSc2nc3ccccc3n2CCC(O)=O)c1 InChI=1S/C19H20N2O3S/c1-14-5-4-6-15(13-14)24-11-12-25-19-20-16-7-2-3-8-17(16)21(19)10-9-18(22)23/h2-8,13H,9-12H2,1H3,(H,22,23) FOCAKYCVXWBREO-UHFFFAOYSA-N 79904 SMR000516311::3-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid::3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid::3-[2-[2-(3-methylphenoxy)ethylthio]-1-benzimidazolyl]propanoic acid::MLS001205081::cid_2772726::3-[2-[2-(3-methylphenoxy)ethylthio]benzimidazol-1-yl]propionic acid Orexin/Hypocretin receptor type 1 Homo sapiens 1566 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79904 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79904&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2772726 252656548 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149483 Cc1cc(C)n2nc(cc2n1)-c1cccc(Br)c1 InChI=1S/C14H12BrN3/c1-9-6-10(2)18-14(16-9)8-13(17-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3 XZYBLTKBGVPSSO-UHFFFAOYSA-N 76631 SMR000515513::2-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine::MLS001207868::cid_686154::2-(3-Bromo-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine::2-(3-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine Orexin/Hypocretin receptor type 1 Homo sapiens 2052 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76631 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76631&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 686154 252653808 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149484 OC(=O)CCn1c(SCCOc2ccccc2)nc2ccccc12 InChI=1S/C18H18N2O3S/c21-17(22)10-11-20-16-9-5-4-8-15(16)19-18(20)24-13-12-23-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22) PHAJRNLHWLJQLC-UHFFFAOYSA-N 79905 SMR000514147::3-[2-(2-phenoxyethylthio)-1-benzimidazolyl]propanoic acid::3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid::MLS001207794::cid_2772722::3-[2-(2-Phenoxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid::3-[2-(2-phenoxyethylthio)benzimidazol-1-yl]propionic acid Orexin/Hypocretin receptor type 1 Homo sapiens 687.36 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79905 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79905&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2772722 252656549 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149485 N#CCSc1nc(nc2ccccc12)-c1ccccc1 InChI=1S/C16H11N3S/c17-10-11-20-16-13-8-4-5-9-14(13)18-15(19-16)12-6-2-1-3-7-12/h1-9H,11H2 JBVMLMHPHCOLAG-UHFFFAOYSA-N 79906 (2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile::SMR000517718::MLS001205064::2-[(2-phenyl-4-quinazolinyl)thio]acetonitrile::2-(2-phenylquinazolin-4-yl)sulfanylethanenitrile::2-(2-phenylquinazolin-4-yl)sulfanylacetonitrile::cid_3141919::2-[(2-phenylquinazolin-4-yl)thio]acetonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 2841 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79906 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79906&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3141919 252656550 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149486 Cc1ccc(O)c(NC(=O)c2cc(on2)-c2ccccc2Cl)c1 InChI=1S/C17H13ClN2O3/c1-10-6-7-15(21)13(8-10)19-17(22)14-9-16(23-20-14)11-4-2-3-5-12(11)18/h2-9,21H,1H3,(H,19,22) MOGPCFGJLJCFNU-UHFFFAOYSA-N 79907 MLS001202480::5-(2-chlorophenyl)-N-(2-hydroxy-5-methylphenyl)-3-isoxazolecarboxamide::5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid (2-hydroxy-5-methyl-phenyl)-amide::cid_1093851::SMR000524508::5-(2-chlorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide::5-(2-chlorophenyl)-N-(5-methyl-2-oxidanyl-phenyl)-1,2-oxazole-3-carboxamide::5-(2-chlorophenyl)-N-(2-hydroxy-5-methyl-phenyl)isoxazole-3-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 7227 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79907 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79907&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1093851 252656551 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149487 [O-][N+](=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O InChI=1S/C15H9ClN2O3/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18(20)21)15(19)17-12/h1-8H,(H,17,19) XLJMQSLOEBFAKA-UHFFFAOYSA-N 79908 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one::SMR000524150::MLS001209048::6-Chloro-3-nitro-4-phenyl-quinolin-2-ol::6-chloranyl-3-nitro-4-phenyl-1H-quinolin-2-one::cid_627227::6-chloro-3-nitro-4-phenyl-carbostyril Orexin/Hypocretin receptor type 1 Homo sapiens 915 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79908 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79908&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 627227 252656552 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149488 CCOc1cc(cc(Br)c1OS(=O)(=O)c1ccccc1)C(=S)N1CCOCC1 InChI=1S/C19H20BrNO5S2/c1-2-25-17-13-14(19(27)21-8-10-24-11-9-21)12-16(20)18(17)26-28(22,23)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3 DYJJXSMRDJNTNI-UHFFFAOYSA-N 79909 SMR000516334::Benzenesulfonic acid 2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)-phenyl ester::[2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] benzenesulfonate::benzenesulfonic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester::cid_3127400::(2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) benzenesulfonate::MLS001205967::benzenesulfonic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 4559 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79909 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79909&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3127400 252656553 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149489 COc1ccc(NC(=O)C(=O)Nc2cccc3cccnc23)cc1OC InChI=1S/C19H17N3O4/c1-25-15-9-8-13(11-16(15)26-2)21-18(23)19(24)22-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,23)(H,22,24) DTDXWNKBRPNJAO-UHFFFAOYSA-N 79910 SMR000504655::N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yl-ethanediamide::cid_24746898::N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide::N-(3,4-dimethoxyphenyl)-N'-(8-quinolinyl)oxamide::MLS001205953::N-(3,4-Dimethoxy-phenyl)-N'-quinolin-8-yl-oxalamide::N-(3,4-dimethoxyphenyl)-N'-(8-quinolyl)oxamide Orexin/Hypocretin receptor type 1 Homo sapiens 474.96 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79910 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79910&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24746898 252656554 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149490 Cn1c2ccc(F)cc2c2nc3ccccc3nc12 InChI=1S/C15H10FN3/c1-19-13-7-6-9(16)8-10(13)14-15(19)18-12-5-3-2-4-11(12)17-14/h2-8H,1H3 LGWYSDDBRZPJIX-UHFFFAOYSA-N 79911 SMR000523960::9-Fluoro-6-methyl-6H-indolo[2,3-b]quinoxaline::MLS001207087::cid_936790::9-fluoranyl-6-methyl-indolo[3,2-b]quinoxaline::9-fluoro-6-methylindolo[3,2-b]quinoxaline::9-fluoro-6-methyl-indolo[3,2-b]quinoxaline Orexin/Hypocretin receptor type 1 Homo sapiens 1169 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79911 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79911&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 936790 252656555 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149491 Clc1ccc(CN2CC[C@H]3C=CC[C@H]([C@H]3C2=O)C(=O)Nc2ccccc2)cc1Cl |c:10| InChI=1S/C23H22Cl2N2O2/c24-19-10-9-15(13-20(19)25)14-27-12-11-16-5-4-8-18(21(16)23(27)29)22(28)26-17-6-2-1-3-7-17/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,26,28) FOEVREDQDHWIBE-UHFFFAOYSA-N 79912 (4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-1-oxidanylidene-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::SMR000525469::(4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-1-oxo-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::MLS000882858::cid_24747377::(4aS,8R,8aS)-2-(3,4-dichlorobenzyl)-1-keto-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 483.84 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79912 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79912&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24747377 252656556 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149492 COc1ccc(CN2CC[C@H]3C=CC[C@H]([C@H]3C2=O)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1OC |c:11| InChI=1S/C26H26ClF3N2O4/c1-35-21-9-6-15(12-22(21)36-2)14-32-11-10-16-4-3-5-18(23(16)25(32)34)24(33)31-17-7-8-20(27)19(13-17)26(28,29)30/h3-4,6-9,12-13,16,18,23H,5,10-11,14H2,1-2H3,(H,31,33) CKTQSZLJZDVMBM-UHFFFAOYSA-N 79913 (4aS,8R,8aS)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)methyl]-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::SMR000525481::cid_24747492::MLS000882850::(4aS,8R,8aS)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)methyl]-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::(4aS,8R,8aS)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-keto-2-veratryl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 70.96 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79913 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79913&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24747492 252656557 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149493 Cc1cccc2c3nc4ccccc4nc3n(C)c12 InChI=1S/C16H13N3/c1-10-6-5-7-11-14-16(19(2)15(10)11)18-13-9-4-3-8-12(13)17-14/h3-9H,1-2H3 MHGOQFOGBFURFZ-UHFFFAOYSA-N 79914 MLS001213496::SMR000540505::cid_3742567::6,7-dimethylindolo[3,2-b]quinoxaline Orexin/Hypocretin receptor type 1 Homo sapiens 1326 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79914 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79914&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3742567 252656558 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149494 COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1c[nH]c2ccccc12 InChI=1S/C24H25N3O3/c1-30-24(29)22(13-17-15-26-21-11-5-3-9-19(17)21)27-23(28)12-6-7-16-14-25-20-10-4-2-8-18(16)20/h2-5,8-11,14-15,22,25-26H,6-7,12-13H2,1H3,(H,27,28) DDCHFPJCANMSIK-UHFFFAOYSA-N 79915 MLS001216385::cid_7097319::methyl (2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoate::SMR000544297::(2S)-3-(1H-indol-3-yl)-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]propanoic acid methyl ester::(2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propionic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 15331 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79915 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79915&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 7097319 252656559 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149495 O=c1c2ccccc2oc2cc(ccc12)-c1ccc2[nH]ccc2c1 InChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-12-14(5-7-17(20)21)13-6-8-18-15(11-13)9-10-22-18/h1-12,22H KHDPUEGXJWQTFK-UHFFFAOYSA-N 58379 cid_24747942::SMR000526298::MLS001144067::3-(1H-indol-5-yl)-9-xanthenone::3-(1H-indol-5-yl)xanthen-9-one::3-(1H-indol-5-yl)xanthone Orexin/Hypocretin receptor type 1 Homo sapiens 2711 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=58379 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=58379&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24747942 252638200 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149496 CNc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 InChI=1S/C14H15ClN6/c1-8-4-5-9(6-11(8)15)18-12-10-7-17-21(3)13(10)20-14(16-2)19-12/h4-7H,1-3H3,(H2,16,18,19,20) PDXZLMVSGGBMDK-UHFFFAOYSA-N 79916 4-N-(3-chloro-4-methylphenyl)-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine::SMR000563892::MLS001199909::cid_16456743::N4-(3-chloro-4-methylphenyl)-N6,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine::N4-(3-chloranyl-4-methyl-phenyl)-N6,1-dimethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine::N~4~-(3-chloro-4-methylphenyl)-N~6~,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine::[4-(3-chloro-4-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-methyl-amine Orexin/Hypocretin receptor type 1 Homo sapiens 2068 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79916 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79916&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16456743 252656560 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149497 Cn1cc(\C=C(/C#N)C(=O)Nc2ccccc2O)c2ccccc12 InChI=1S/C19H15N3O2/c1-22-12-14(15-6-2-4-8-17(15)22)10-13(11-20)19(24)21-16-7-3-5-9-18(16)23/h2-10,12,23H,1H3,(H,21,24) JERRNTIRXOVXGL-UHFFFAOYSA-N 79917 SMR000539012::(E)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide::cid_729709::(E)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methyl-3-indolyl)-2-propenamide::MLS001173404::(E)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)acrylamide Orexin/Hypocretin receptor type 1 Homo sapiens 4477 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79917 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79917&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 729709 252656561 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149498 Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(C3CC(=O)C(=O)C=C3)c12 |c:25| InChI=1S/C20H15N5O2/c1-11-17-18(12-7-8-15(26)16(27)9-12)14(10-21)19(22)23-20(17)25(24-11)13-5-3-2-4-6-13/h2-8,12H,9H2,1H3,(H2,22,23) PUBOKMCVMUTDEI-UHFFFAOYSA-N 79918 MLS001214474::(4Z)-6-amino-4-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-methyl-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile::SMR000543790::(4Z)-6-azanyl-3-methyl-4-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile::(4Z)-6-amino-4-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-methyl-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile::cid_17577761::(4Z)-6-amino-4-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-methyl-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Orexin/Hypocretin receptor type 1 Homo sapiens 9342 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79918 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79918&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898287 252656562 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149499 COc1cc(Cn2cc(O)n(-c3ccccc3Cl)c2=S)cc(OC)c1OC |(5.14,3.81,;6.48,4.58,;7.81,3.81,;7.81,2.27,;9.14,1.5,;9.14,-.04,;7.81,-.81,;6.4,-.19,;5.37,-1.33,;3.84,-1.17,;6.14,-2.67,;5.52,-4.07,;6.42,-5.32,;5.8,-6.73,;4.26,-6.89,;3.36,-5.64,;3.99,-4.23,;3.08,-2.99,;7.65,-2.35,;8.79,-3.38,;10.48,2.27,;10.48,3.81,;11.81,4.58,;13.15,3.81,;9.14,4.58,;9.14,6.12,;10.48,6.89,)| InChI=1S/C19H19ClN2O4S/c1-24-15-8-12(9-16(25-2)18(15)26-3)10-21-11-17(23)22(19(21)27)14-7-5-4-6-13(14)20/h4-9,11,23H,10H2,1-3H3 IVCXDKINXIVSAY-UHFFFAOYSA-N 79919 cid_4581175::3-(2-chlorophenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]-4-imidazolidinone::SMR000564417::MLS001200914::3-(2-chlorophenyl)-2-thioxo-1-(3,4,5-trimethoxybenzyl)imidazolidin-4-one::3-(2-chlorophenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one::3-(2-chlorophenyl)-2-thioxo-1-(3,4,5-trimethoxybenzyl)-4-imidazolidinone Orexin/Hypocretin receptor type 1 Homo sapiens 1007 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79919 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79919&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898288 252656563 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149500 CC(NC(=O)COc1cccc(NC(C)=O)c1)c1ccc2ccccc2c1 InChI=1S/C22H22N2O3/c1-15(18-11-10-17-6-3-4-7-19(17)12-18)23-22(26)14-27-21-9-5-8-20(13-21)24-16(2)25/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25) ABSPCBSIRGQAKA-UHFFFAOYSA-N 79920 cid_16338637::SMR000592055::2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)ethanamide::2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide::2-(3-acetamidophenoxy)-N-[1-(2-naphthalenyl)ethyl]acetamide::MLS001177268::2-(3-acetamidophenoxy)-N-[1-(2-naphthyl)ethyl]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 622.97 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79920 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79920&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16338637 252656564 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149501 Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)c1cc2ccccc2[nH]1 InChI=1S/C21H23N3O3S/c1-16-7-9-18(10-8-16)28(26,27)24-12-4-11-23(13-14-24)21(25)20-15-17-5-2-3-6-19(17)22-20/h2-3,5-10,15,22H,4,11-14H2,1H3 QELJUVYWWJBVSV-UHFFFAOYSA-N 79921 MLS001172054::1H-indol-2-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone::SMR000596329::cid_9397654::1H-indol-2-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Orexin/Hypocretin receptor type 1 Homo sapiens 77.73 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79921 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79921&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 9397654 252656565 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149502 Cc1ccc(C)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 InChI=1S/C20H20NO3P/c1-16-13-14-17(2)20(15-16)21-25(22,23-18-9-5-3-6-10-18)24-19-11-7-4-8-12-19/h3-15H,1-2H3,(H,21,22) GMSMBWMTBLESFN-UHFFFAOYSA-N 79922 N-diphenoxyphosphoryl-2,5-dimethyl-aniline::MLS001170948::SMR000589417::cid_2305273::N-diphenoxyphosphoryl-2,5-dimethylaniline::(2,5-dimethylphenyl)-diphenoxyphosphoryl-amine Orexin/Hypocretin receptor type 1 Homo sapiens 5471 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79922 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79922&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2305273 252656566 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149503 CN(C)c1ccc(NC(=S)c2ccc3ccccc3n2)cc1 InChI=1S/C18H17N3S/c1-21(2)15-10-8-14(9-11-15)19-18(22)17-12-7-13-5-3-4-6-16(13)20-17/h3-12H,1-2H3,(H,19,22) XJQQBZIYKWJZDB-UHFFFAOYSA-N 79923 SMR000641080::N-[4-(dimethylamino)phenyl]-2-quinolinecarbothioamide::cid_797253::MLS001167117::N-[4-(dimethylamino)phenyl]quinoline-2-carbothioamide::N-[4-(dimethylamino)phenyl]thioquinaldamide Orexin/Hypocretin receptor type 1 Homo sapiens 2863 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79923 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79923&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 797253 252656567 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149504 Fc1cccc(Nc2nc3ccccc3n3cnnc23)c1 InChI=1S/C15H10FN5/c16-10-4-3-5-11(8-10)18-14-15-20-17-9-21(15)13-7-2-1-6-12(13)19-14/h1-9H,(H,18,19) GNHBJXDWNKDKDF-UHFFFAOYSA-N 79924 N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine::cid_5295762::SMR000560077::N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine::MLS001199804::(3-fluorophenyl)-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amine Orexin/Hypocretin receptor type 1 Homo sapiens 2028 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79924 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79924&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 5295762 252656568 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149505 Cc1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1 InChI=1S/C18H15ClN2O/c1-12-9-16(15-7-2-3-8-17(15)21-12)18(22)20-11-13-5-4-6-14(19)10-13/h2-10H,11H2,1H3,(H,20,22) YMYULYHWDTUSIS-UHFFFAOYSA-N 79925 SMR000591362::N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide::MLS001171384::cid_2088463::N-[(3-chlorophenyl)methyl]-2-methyl-4-quinolinecarboxamide::N-[(3-chlorophenyl)methyl]-2-methyl-quinoline-4-carboxamide::N-(3-chlorobenzyl)-2-methyl-cinchoninamide Orexin/Hypocretin receptor type 1 Homo sapiens 976 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79925 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79925&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2088463 252656569 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149506 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1 |c:4,25| InChI=1S/C27H26FN3O2/c1-19-24(26(32)33-2)25(22-14-9-15-23(28)16-22)30-27(29-17-20-10-5-3-6-11-20)31(19)18-21-12-7-4-8-13-21/h3-16,25H,17-18H2,1-2H3,(H,29,30) LXYYCFBEHHEXJY-UHFFFAOYSA-N 61586 cid_24789247::methyl (4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate::SMR000672092::MLS000829930::(4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4H-pyrimidine-5-carboxylic acid methyl ester::methyl (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4H-pyrimidine-5-carboxylate::(4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens >66238 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=61586 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=61586&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24789247 252640739 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149507 Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(C)cc1 InChI=1S/C22H24ClN3O4S/c1-15-4-10-20(11-5-15)26(31(28,29)22-16(2)25-30-17(22)3)14-21(27)24-13-12-18-6-8-19(23)9-7-18/h4-11H,12-14H2,1-3H3,(H,24,27) HOKCGORGAHWULJ-UHFFFAOYSA-N 79926 N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-methylphenyl)amino]ethanamide::N-[2-(4-chlorophenyl)ethyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide::cid_15990985::SMR000622754::MLS000912821::N-[2-(4-chlorophenyl)ethyl]-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-methylanilino]acetamide::N-[2-(4-chlorophenyl)ethyl]-2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methyl-anilino)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 584.99 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79926 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79926&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 15990985 252656570 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149508 CSc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccs2)c1 InChI=1S/C17H20N2O3S3/c1-23-15-7-2-6-14(11-15)18-17(20)13-5-3-9-19(12-13)25(21,22)16-8-4-10-24-16/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,20) LZCBNRHAAUTAMM-UHFFFAOYSA-N 79927 SMR000621864::N-[3-(methylthio)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide::MLS000937074::N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide::cid_22429402::N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide::N-[3-(methylthio)phenyl]-1-(2-thienylsulfonyl)nipecotamide Orexin/Hypocretin receptor type 1 Homo sapiens 546.29 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79927 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79927&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 22429402 252656571 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149509 Cc1ccc(\C=C2\Sc3ccccc3N(CC(=O)NCC3CCCO3)C2=O)cc1 InChI=1S/C23H24N2O3S/c1-16-8-10-17(11-9-16)13-21-23(27)25(19-6-2-3-7-20(19)29-21)15-22(26)24-14-18-5-4-12-28-18/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3,(H,24,26) DQFOQICYWYTBRD-UHFFFAOYSA-N 79928 SMR000622276::2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-oxolanylmethyl)acetamide::MLS000950603::2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(oxolan-2-ylmethyl)acetamide::2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-(oxolan-2-ylmethyl)ethanamide::cid_24789905::2-[(2E)-3-keto-2-(4-methylbenzylidene)-1,4-benzothiazin-4-yl]-N-(tetrahydrofurfuryl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 1765 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79928 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79928&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24789905 252656572 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149510 COc1cccc(\C=C2\Oc3ccccc3N(CC(=O)NCC3CCCO3)C2=O)c1 InChI=1S/C23H24N2O5/c1-28-17-7-4-6-16(12-17)13-21-23(27)25(19-9-2-3-10-20(19)30-21)15-22(26)24-14-18-8-5-11-29-18/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H,24,26) CGOPIFOCIZZGDF-UHFFFAOYSA-N 79929 MLS000950652::2-[(2E)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-oxolanylmethyl)acetamide::2-[(2E)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)acetamide::SMR000622271::cid_24031031::2-[(2E)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)ethanamide::2-[(2E)-3-keto-2-m-anisylidene-1,4-benzoxazin-4-yl]-N-(tetrahydrofurfuryl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 253.54 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79929 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79929&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24031031 252656573 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149511 Brc1cccc(\C=C2\Oc3ccccc3N(CC(=O)NCC3CCCO3)C2=O)c1 InChI=1S/C22H21BrN2O4/c23-16-6-3-5-15(11-16)12-20-22(27)25(18-8-1-2-9-19(18)29-20)14-21(26)24-13-17-7-4-10-28-17/h1-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,(H,24,26) SQRVUKFBVAXVJL-UHFFFAOYSA-N 61750 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-oxolanylmethyl)acetamide::2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)acetamide::cid_24789943::MLS001030850::2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)ethanamide::SMR000635028::2-[(2E)-2-(3-bromobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-(tetrahydrofurfuryl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 314.08 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=61750 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=61750&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24789943 252640903 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149512 Cc1cc(C)cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 InChI=1S/C22H23N3O3S/c1-15-12-16(2)14-18(13-15)24-22(26)19-8-5-11-25(19)29(27,28)20-9-3-6-17-7-4-10-23-21(17)20/h3-4,6-7,9-10,12-14,19H,5,8,11H2,1-2H3,(H,24,26) DZKJQGVLLCPVCL-UHFFFAOYSA-N 79930 MLS001076936::N-(3,5-dimethylphenyl)-1-(8-quinolinylsulfonyl)-2-pyrrolidinecarboxamide::cid_20880646::SMR000624257::N-(3,5-dimethylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide::N-(3,5-dimethylphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide::N-(3,5-dimethylphenyl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 244.38 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79930 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79930&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 20880646 252656574 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149513 OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25) FEVKOYDOEFRIDM-UHFFFAOYSA-N 46036 2-[[3-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid::2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid::MLS-0315803.0001::cid_4089709::2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid Orexin/Hypocretin receptor type 1 Homo sapiens 1278 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=46036 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=46036&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4089709 252626606 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149514 CCOc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cc(C)cc(C)c1 InChI=1S/C22H28N2O4S/c1-4-28-20-7-9-21(10-8-20)29(26,27)24-11-5-6-18(15-24)22(25)23-19-13-16(2)12-17(3)14-19/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,23,25) AFLCBYWOVUOJFP-UHFFFAOYSA-N 79931 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide::N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-3-carboxamide::MLS001223988::1-(4-Ethoxy-benzenesulfonyl)-piperidine-3-carboxylic acid (3,5-dimethyl-phenyl)-amide::N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide::cid_3228462::SMR000602332::N-(3,5-dimethylphenyl)-1-p-phenetylsulfonyl-nipecotamide Orexin/Hypocretin receptor type 1 Homo sapiens 438.37 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79931 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79931&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3228462 252656575 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149515 COc1cccc2oc3cc(ccc3c(=O)c12)-c1ccc2[nH]ccc2c1 InChI=1S/C22H15NO3/c1-25-18-3-2-4-19-21(18)22(24)16-7-5-14(12-20(16)26-19)13-6-8-17-15(11-13)9-10-23-17/h2-12,23H,1H3 SMFRTESAWGAGAJ-UHFFFAOYSA-N 58583 SMR000685950::MLS001249984::6-(1H-indol-5-yl)-1-methoxy-xanthen-9-one::6-(1H-indol-5-yl)-1-methoxyxanthen-9-one::cid_24792639::6-(1H-indol-5-yl)-1-methoxy-9-xanthenone::6-(1H-indol-5-yl)-1-methoxy-xanthone Orexin/Hypocretin receptor type 1 Homo sapiens 919 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=58583 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=58583&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24792639 252638401 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149516 COc1ccc(cc1)N(CC(=O)NCCc1cccc(C)c1)S(=O)(=O)c1c(C)noc1C InChI=1S/C23H27N3O5S/c1-16-6-5-7-19(14-16)12-13-24-22(27)15-26(20-8-10-21(30-4)11-9-20)32(28,29)23-17(2)25-31-18(23)3/h5-11,14H,12-13,15H2,1-4H3,(H,24,27) KBNSWEUJYCJTAD-UHFFFAOYSA-N 79932 MLS000913019::SMR000622934::2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-methoxyphenyl)amino]-N-[2-(3-methylphenyl)ethyl]ethanamide::2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-methoxyanilino]-N-[2-(3-methylphenyl)ethyl]acetamide::2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[2-(3-methylphenyl)ethyl]acetamide::cid_16007609::2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methoxy-anilino)-N-[2-(m-tolyl)ethyl]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 653.15 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79932 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79932&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16007609 252656576 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149517 CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C InChI=1S/C26H30N4O4/c1-26(2,3)34-25(33)20(15-18-11-7-5-8-12-18)29-23(31)21-22(28-17-27-21)24(32)30(4)16-19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,27,28)(H,29,31) ZHKCBJBORAYSKM-UHFFFAOYSA-N 79933 SMR000641974::cid_24793385::tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate::MLS000911294::tert-butyl (2S)-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate::(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester::ILP-I-69::(2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 514.52 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79933 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79933&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24793385 252656577 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149518 COc1cc2ccccc2cc1C(=O)Nc1ccc(cc1)N1CCOCC1 InChI=1S/C22H22N2O3/c1-26-21-15-17-5-3-2-4-16(17)14-20(21)22(25)23-18-6-8-19(9-7-18)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25) ZZPYRWQPKUSUJH-UHFFFAOYSA-N 79934 3-Methoxy-naphthalene-2-carboxylic acid (4-morpholin-4-yl-phenyl)-amide::MLS001219397::3-methoxy-N-[4-(4-morpholinyl)phenyl]-2-naphthalenecarboxamide::cid_1104012::3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide::SMR000608093::3-methoxy-N-(4-morpholinophenyl)-2-naphthamide Orexin/Hypocretin receptor type 1 Homo sapiens 8587 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79934 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79934&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1104012 252656578 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149519 CCOc1ccccc1C(=O)Nc1ccc2nc3CCCCCn3c(=O)c2c1 InChI=1S/C22H23N3O3/c1-2-28-19-9-6-5-8-16(19)21(26)23-15-11-12-18-17(14-15)22(27)25-13-7-3-4-10-20(25)24-18/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,23,26) QMAHTISWMMIVGZ-UHFFFAOYSA-N 65662 MLS001110707::2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide::2-ethoxy-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide::SMR000624740::cid_24793679::2-ethoxy-N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 417.28 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=65662 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=65662&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24793679 252644056 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149520 Fc1cccc(NC2CCCN(C2)C(=O)c2cccc(c2)N2CCNC2=O)c1 InChI=1S/C21H23FN4O2/c22-16-5-2-6-17(13-16)24-18-7-3-10-25(14-18)20(27)15-4-1-8-19(12-15)26-11-9-23-21(26)28/h1-2,4-6,8,12-13,18,24H,3,7,9-11,14H2,(H,23,28) OHNOFYIPVVFZMX-UHFFFAOYSA-N 79935 1-[3-[[3-(3-fluoroanilino)-1-piperidinyl]-oxomethyl]phenyl]-2-imidazolidinone::1-[3-[3-[(3-fluorophenyl)amino]piperidin-1-yl]carbonylphenyl]imidazolidin-2-one::MLS001082631::cid_24816908::1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one::SMR000658695::1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]-2-imidazolidinone Orexin/Hypocretin receptor type 1 Homo sapiens 922 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79935 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79935&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24816908 252656579 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149521 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)C=Cc1cccc(OC)c1 |w:17.17,c:11| InChI=1S/C19H22N2O6/c1-4-26-18(23)17-12(2)20-19(24)21-15(17)11-27-16(22)9-8-13-6-5-7-14(10-13)25-3/h5-10,12,17H,4,11H2,1-3H3,(H,20,24) KJPXMZODSHKVPL-UHFFFAOYSA-N 79936 6-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::cid_24817071::ethyl 6-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate::ethyl 6-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate::MLS001080861::SMR000717324::2-keto-6-[[(E)-3-(3-methoxyphenyl)acryloyl]oxymethyl]-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 8331 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79936 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79936&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898289 252656580 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149522 CCc1cc(sc1C)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1 |c:18| InChI=1S/C19H20N2O3S/c1-3-14-11-17(25-13(14)2)19(23)24-12-18(22)21-10-9-16(20-21)15-7-5-4-6-8-15/h4-8,11H,3,9-10,12H2,1-2H3 PTGPLMZMHWFKRC-UHFFFAOYSA-N 66899 cid_7847536::4-ethyl-5-methyl-2-thiophenecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester::[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-ethyl-5-methylthiophene-2-carboxylate::SMR000708258::MLS001080875::[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate::4-ethyl-5-methyl-thiophene-2-carboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 2453 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66899 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66899&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 7847536 252645212 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149523 Cc1ccc(NC2CCCN(C2)C(=O)c2cn(C)c3ccccc23)cc1C InChI=1S/C23H27N3O/c1-16-10-11-18(13-17(16)2)24-19-7-6-12-26(14-19)23(27)21-15-25(3)22-9-5-4-8-20(21)22/h4-5,8-11,13,15,19,24H,6-7,12,14H2,1-3H3 IGHGJSNFCFMHKF-UHFFFAOYSA-N 79937 [3-(3,4-dimethylanilino)-1-piperidinyl]-(1-methyl-3-indolyl)methanone::[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(1-methylindol-3-yl)methanone::[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone::SMR000659309::MLS001090469::cid_24817165::[3-(3,4-dimethylanilino)piperidino]-(1-methylindol-3-yl)methanone Orexin/Hypocretin receptor type 1 Homo sapiens 771.15 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79937 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79937&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24817165 252656581 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149524 COc1cccc(C=NNC(=O)c2nnn(c2CN(C)c2ccccc2)-c2nonc2N)c1 InChI=1S/C21H21N9O3/c1-29(15-8-4-3-5-9-15)13-17-18(24-28-30(17)20-19(22)26-33-27-20)21(31)25-23-12-14-7-6-10-16(11-14)32-2/h3-12H,13H2,1-2H3,(H2,22,26)(H,25,31) GMAAJDOWKUTLHA-UHFFFAOYSA-N 79938 MLS001141048::1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-methoxyphenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide::1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(3-methoxyphenyl)methylideneamino]-5-[[methyl(phenyl)amino]methyl]-1,2,3-triazole-4-carboxamide::SMR000650077::cid_3286670::1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-methoxyphenyl)methylideneamino]-5-[(N-methylanilino)methyl]-4-triazolecarboxamide::1-(4-aminofurazan-3-yl)-N-(m-anisylideneamino)-5-[(N-methylanilino)methyl]triazole-4-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 513.36 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79938 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79938&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 3286670 252656582 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149525 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(O)c1)c1ccccc1 InChI=1S/C20H19N9O3/c1-28(14-7-3-2-4-8-14)12-16-17(23-27-29(16)19-18(21)25-32-26-19)20(31)24-22-11-13-6-5-9-15(30)10-13/h2-11,30H,12H2,1H3,(H2,21,25)(H,24,31) FFOGVUHQVDOHFT-UHFFFAOYSA-N 79939 SMR000650080::cid_1950409::1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide::MLS001141078::1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methylideneamino]-5-[[methyl(phenyl)amino]methyl]-1,2,3-triazole-4-carboxamide::1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methylideneamino]-5-[(N-methylanilino)methyl]-4-triazolecarboxamide::1-(4-aminofurazan-3-yl)-N-[(3-hydroxybenzylidene)amino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 1040 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79939 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79939&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1950409 252656583 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149526 COc1cccc2oc3ccc(cc3c(=O)c12)C#Cc1ccccn1 InChI=1S/C21H13NO3/c1-24-18-6-4-7-19-20(18)21(23)16-13-14(9-11-17(16)25-19)8-10-15-5-2-3-12-22-15/h2-7,9,11-13H,1H3 RSDCCDQDEKHOBB-UHFFFAOYSA-N 79940 1-methoxy-7-(2-pyridin-2-ylethynyl)xanthen-9-one::MLS001249977::1-methoxy-7-[2-(2-pyridinyl)ethynyl]-9-xanthenone::SMR000685943::cid_24818804::1-methoxy-7-[2-(2-pyridyl)ethynyl]xanthone Orexin/Hypocretin receptor type 1 Homo sapiens 881.28 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79940 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79940&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24818804 252656584 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149527 Cn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1 InChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-14-15(10-12-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3 LQLFCACHZLXHIB-UHFFFAOYSA-N 79941 10-methyl-2-(2-pyridin-2-ylethynyl)acridin-9-one::MLS001250117::10-methyl-2-[2-(2-pyridinyl)ethynyl]-9-acridinone::SMR000685983::cid_24819158::10-methyl-2-[2-(2-pyridyl)ethynyl]acridin-9-one Orexin/Hypocretin receptor type 1 Homo sapiens 412.59 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79941 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79941&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24819158 252656585 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149528 Cc1ccc(NC2CCCN(C2)C(=O)c2cccc(c2)-c2ncc[nH]2)cc1C InChI=1S/C23H26N4O/c1-16-8-9-20(13-17(16)2)26-21-7-4-12-27(15-21)23(28)19-6-3-5-18(14-19)22-24-10-11-25-22/h3,5-6,8-11,13-14,21,26H,4,7,12,15H2,1-2H3,(H,24,25) AFEKICQSZHIMRP-UHFFFAOYSA-N 79942 MLS001072368::cid_24819406::[3-(3,4-dimethylanilino)-1-piperidinyl]-[3-(1H-imidazol-2-yl)phenyl]methanone::[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone::[3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone::SMR000653885::[3-(3,4-dimethylanilino)piperidino]-[3-(1H-imidazol-2-yl)phenyl]methanone Orexin/Hypocretin receptor type 1 Homo sapiens 174.8 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79942 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79942&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24819406 252656586 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149529 COc1ccc(OC)c(c1)S(=O)(=O)NCC(N1CCc2ccccc12)c1ccco1 InChI=1S/C22H24N2O5S/c1-27-17-9-10-21(28-2)22(14-17)30(25,26)23-15-19(20-8-5-13-29-20)24-12-11-16-6-3-4-7-18(16)24/h3-10,13-14,19,23H,11-12,15H2,1-2H3 SSTKFZVKVKZALO-UHFFFAOYSA-N 79943 SMR000811932::N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethoxy-benzenesulfonamide::cid_16830239::MLS001237415::N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethoxybenzenesulfonamide::N-[2-(2,3-dihydroindol-1-yl)-2-(2-furanyl)ethyl]-2,5-dimethoxybenzenesulfonamide::N-[2-(2-furyl)-2-indolin-1-yl-ethyl]-2,5-dimethoxy-benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 2303 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79943 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79943&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16830239 252656587 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149530 CSc1cccc(c1)N1CC(CC1=O)C(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O InChI=1S/C23H22N4O4S2/c1-32-18-6-2-5-17(12-18)27-14-16(11-20(27)28)21(29)25-8-9-26-22(30)19(33-23(26)31)10-15-4-3-7-24-13-15/h2-7,10,12-13,16H,8-9,11,14H2,1H3,(H,25,29) BNJQKZDJELTZGU-UHFFFAOYSA-N 79944 MLS001080195::N-[2-[(5Z)-2,4-dioxo-5-(3-pyridinylmethylidene)-3-thiazolidinyl]ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide::SMR000717597::N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide::cid_24979400::N-[2-[(5Z)-2,4-bis(oxidanylidene)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide::N-[2-[(5Z)-2,4-diketo-5-(3-pyridylmethylene)thiazolidin-3-yl]ethyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 353.89 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79944 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79944&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24979400 252656588 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149531 CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(c1)C(=O)NCC(N1CCOCC1)c1cccs1 InChI=1S/C25H29N3O4S2/c1-19-8-10-21(11-9-19)27(2)34(30,31)22-6-3-5-20(17-22)25(29)26-18-23(24-7-4-16-33-24)28-12-14-32-15-13-28/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,26,29) JPMSNHIXZAXXEC-UHFFFAOYSA-N 79945 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide::3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide::3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)benzamide::cid_24979750::SMR000712565::MLS001128271::3-[methyl(p-tolyl)sulfamoyl]-N-[2-morpholino-2-(2-thienyl)ethyl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 714.75 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79945 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79945&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24979750 252656589 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149532 CSc1ccc(CN(C)C(=O)c2cc(ccc2C)S(=O)(=O)NCc2ccccc2)cc1 InChI=1S/C24H26N2O3S2/c1-18-9-14-22(31(28,29)25-16-19-7-5-4-6-8-19)15-23(18)24(27)26(2)17-20-10-12-21(30-3)13-11-20/h4-15,25H,16-17H2,1-3H3 GHNOLASIXFSBRH-UHFFFAOYSA-N 79946 MLS001071800::N,2-dimethyl-N-[[4-(methylthio)phenyl]methyl]-5-[(phenylmethyl)sulfamoyl]benzamide::5-(benzylsulfamoyl)-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]benzamide::SMR000711249::cid_24982063::N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-[(phenylmethyl)sulfamoyl]benzamide::5-(benzylsulfamoyl)-N,2-dimethyl-N-[4-(methylthio)benzyl]benzamide Orexin/Hypocretin receptor type 1 Homo sapiens 870.83 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79946 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79946&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 24982063 252656590 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149533 COc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccccc1C)c1cccc(Cl)c1)C(O)=O |c:11| InChI=1S/C26H24ClNO5S/c1-17-6-3-4-9-24(17)34(31,32)28-23(18-10-12-21(33-2)13-11-18)15-14-22(26(29)30)25(28)19-7-5-8-20(27)16-19/h3-14,16,23,25H,15H2,1-2H3,(H,29,30) RBVRQCULUMILKV-UHFFFAOYSA-N 79947 SMR001261542::MLS002174376::(2S,6S)-6-(3-chlorophenyl)-2-(4-methoxyphenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid::cid_16656172::(2S,6S)-6-(3-chlorophenyl)-2-(4-methoxyphenyl)-1-(o-tolylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid Orexin/Hypocretin receptor type 1 Homo sapiens 1086 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79947 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79947&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16656172 252656591 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149534 CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 InChI=1S/C25H27N3O4S/c1-2-32-24-11-7-6-10-23(24)27-16-18-28(19-17-27)25(29)20-12-14-22(15-13-20)33(30,31)26-21-8-4-3-5-9-21/h3-15,26H,2,16-19H2,1H3 JDIGQIZGSQAEHX-UHFFFAOYSA-N 79948 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide::4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-N-phenyl-benzenesulfonamide::cid_16332146::4-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-N-phenylbenzenesulfonamide::SMR001250404::MLS002170082::4-(4-o-phenetylpiperazine-1-carbonyl)-N-phenyl-benzenesulfonamide Orexin/Hypocretin receptor type 1 Homo sapiens 1117 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79948 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79948&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16332146 252656592 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149535 CC(NC(C)c1ccccc1Cl)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1 InChI=1S/C22H28ClN3O3S/c1-16(20-11-4-5-12-21(20)23)24-17(2)22(27)25-18-9-8-10-19(15-18)30(28,29)26-13-6-3-7-14-26/h4-5,8-12,15-17,24H,3,6-7,13-14H2,1-2H3,(H,25,27) MKNNWVHPBTUYHG-UHFFFAOYSA-N 79949 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide::2-[1-(2-chlorophenyl)ethylamino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide::SMR001252074::MLS002171784::cid_16309185::2-[1-(2-chlorophenyl)ethylamino]-N-(3-piperidinosulfonylphenyl)propionamide Orexin/Hypocretin receptor type 1 Homo sapiens 238.29 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79949 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79949&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16309185 252656593 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149536 CCN(C(=O)CON=Cc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |w:7.6| InChI=1S/C24H27N5O6/c1-4-28(20(30)15-35-26-13-17-10-11-18(33-2)12-19(17)34-3)21-22(25)29(24(32)27-23(21)31)14-16-8-6-5-7-9-16/h5-13H,4,14-15,25H2,1-3H3,(H,27,31,32) VZXGLUNPCXMDDW-UHFFFAOYSA-N 79950 MLS002161888::cid_4848331::SMR001244306::N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethyl-ethanamide::N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide::N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide::N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-[(2,4-dimethoxybenzylidene)amino]oxy-N-ethyl-acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 316.91 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79950 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79950&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 9684435 252656594 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149537 Cc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F InChI=1S/C19H19F3N2O3S/c1-13-7-2-4-9-15(13)23-18(25)16-10-6-12-24(16)28(26,27)17-11-5-3-8-14(17)19(20,21)22/h2-5,7-9,11,16H,6,10,12H2,1H3,(H,23,25) OSNAZRTWDFNNGW-UHFFFAOYSA-N 79951 MLS002166024::N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2-pyrrolidinecarboxamide::SMR001248382::cid_4879906::N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide::N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide::N-(o-tolyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 351.64 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79951 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79951&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4879906 252656595 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149538 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ccc2ccccc2c1O |c:11| InChI=1S/C20H20N2O6/c1-3-27-19(25)16-11(2)21-20(26)22-15(16)10-28-18(24)14-9-8-12-6-4-5-7-13(12)17(14)23/h4-9,11,16,23H,3,10H2,1-2H3,(H,21,26) AERNAALFHASSPO-UHFFFAOYSA-N 79952 cid_25163569::MLS002182193::ethyl 4-methyl-2-oxidanylidene-6-[(1-oxidanylnaphthalen-2-yl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate::ethyl 6-[(1-hydroxynaphthalene-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate::SMR001271223::6-[[(1-hydroxy-2-naphthalenyl)-oxomethoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::6-[(1-hydroxy-2-naphthoyl)oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 1618 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79952 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79952&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 91898290 252656596 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149539 Cc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1 InChI=1S/C18H13FN2O2S/c1-9-13-7-11(19)3-6-15(13)23-17(9)18(22)21-12-4-5-14-16(8-12)24-10(2)20-14/h3-8H,1-2H3,(H,21,22) UTTFFDFRBMUFAV-UHFFFAOYSA-N 76028 SMR001250428::cid_9085542::5-fluoranyl-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide::MLS002170106::5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide::5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-benzofurancarboxamide::5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)coumarilamide Orexin/Hypocretin receptor type 1 Homo sapiens 385.91 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76028 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76028&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 9085542 252653219 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149540 CCSc1ccc(cc1OC)[C@@H]1[C@@H]2[C@@H](C(=O)N(CC)C2=O)[C@@]2(CCCCN12)C(=O)OC InChI=1S/C23H30N2O5S/c1-5-24-20(26)17-18(21(24)27)23(22(28)30-4)11-7-8-12-25(23)19(17)14-9-10-16(31-6-2)15(13-14)29-3/h9-10,13,17-19H,5-8,11-12H2,1-4H3 PDCMSNDUKGQBTI-UHFFFAOYSA-N 79953 methyl (3aS,4S,9aS,9bR)-2-ethyl-4-(4-ethylsulfanyl-3-methoxyphenyl)-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate::methyl (3aS,4S,9aS,9bR)-2-ethyl-4-(4-ethylsulfanyl-3-methoxy-phenyl)-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate::cid_42600974::SMR001217213::N/A::(3aS,4S,9aS,9bR)-2-ethyl-4-[4-(ethylthio)-3-methoxyphenyl]-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylic acid methyl ester::MLS001362134::(3aS,4S,9aS,9bR)-2-ethyl-4-[4-(ethylthio)-3-methoxy-phenyl]-1,3-diketo-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 2654 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79953 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79953&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 42600974 252656597 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149541 CC(C)(O)c1cc2ccc(cc2c(=O)o1)C#Cc1ccsc1 InChI=1S/C18H14O3S/c1-18(2,20)16-10-14-6-5-12(9-15(14)17(19)21-16)3-4-13-7-8-22-11-13/h5-11,20H,1-2H3 OPZVXHKGDPCTDW-UHFFFAOYSA-N 79954 cid_44142309::3-(2-hydroxypropan-2-yl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one::SMR001370593::MLS002402825::3-(2-hydroxypropan-2-yl)-7-[2-(3-thiophenyl)ethynyl]-2-benzopyran-1-one::3-(2-oxidanylpropan-2-yl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one::3-(1-hydroxy-1-methyl-ethyl)-7-[2-(3-thienyl)ethynyl]isocoumarin Orexin/Hypocretin receptor type 1 Homo sapiens 4318 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79954 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79954&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44142309 252656598 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149542 O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccc2[nH]ccc12 InChI=1S/C25H17N3O3S/c29-24(21-11-6-12-22-19(21)13-14-26-22)30-15-3-4-16-32-25-28-27-23(31-25)20-10-5-8-17-7-1-2-9-18(17)20/h1-2,5-14,26H,15-16H2 QAGFDTOVQKCZRK-UHFFFAOYSA-N 79955 1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester::cid_44142086::4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1H-indole-4-carboxylate::SMR001318086::MLS002391455::1H-indole-4-carboxylic acid 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 505.98 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79955 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79955&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44142086 252656599 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149543 COc1cc(OC)cc(c1)C#Cc1ccc2n(CC=C)c3ccccc3c(=O)c2c1 InChI=1S/C26H21NO3/c1-4-13-27-24-8-6-5-7-22(24)26(28)23-16-18(11-12-25(23)27)9-10-19-14-20(29-2)17-21(15-19)30-3/h4-8,11-12,14-17H,1,13H2,2-3H3 SLYOYOUYHWDZDC-UHFFFAOYSA-N 79956 2-[2-(3,5-dimethoxyphenyl)ethynyl]-10-prop-2-enyl-acridin-9-one::cid_44142353::2-[2-(3,5-dimethoxyphenyl)ethynyl]-10-prop-2-enylacridin-9-one::2-[2-(3,5-dimethoxyphenyl)ethynyl]-10-prop-2-enyl-9-acridinone::SMR001370617::MLS002402849::10-allyl-2-[2-(3,5-dimethoxyphenyl)ethynyl]acridin-9-one Orexin/Hypocretin receptor type 1 Homo sapiens 1188 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79956 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79956&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44142353 252656600 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149544 Cn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1cccc(N)c1 InChI=1S/C22H16N2O/c1-24-20-8-3-2-7-18(20)22(25)19-14-16(11-12-21(19)24)10-9-15-5-4-6-17(23)13-15/h2-8,11-14H,23H2,1H3 QCIBTTGAPXYYPW-UHFFFAOYSA-N 79957 MLS002402856::2-[2-(3-aminophenyl)ethynyl]-10-methyl-9-acridinone::2-[2-(3-aminophenyl)ethynyl]-10-methylacridin-9-one::SMR001370623::cid_44142359::2-[2-(3-aminophenyl)ethynyl]-10-methyl-acridin-9-one Orexin/Hypocretin receptor type 1 Homo sapiens 1500 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79957 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79957&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44142359 252656601 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149545 C=CCn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1 InChI=1S/C23H16N2O/c1-2-15-25-21-9-4-3-8-19(21)23(26)20-16-17(11-13-22(20)25)10-12-18-7-5-6-14-24-18/h2-9,11,13-14,16H,1,15H2 LHSUROLMIRFSKT-UHFFFAOYSA-N 76778 10-prop-2-enyl-2-(2-pyridin-2-ylethynyl)acridin-9-one::MLS002402857::SMR001370624::10-prop-2-enyl-2-[2-(2-pyridinyl)ethynyl]-9-acridinone::cid_44142360::10-allyl-2-[2-(2-pyridyl)ethynyl]acridin-9-one Orexin/Hypocretin receptor type 1 Homo sapiens >3.31 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76778 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=76778&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44142360 252653955 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149546 COc1ccc2sc(c(C#CCO)c2c1)-c1ccc(cc1)N(C)C InChI=1S/C20H19NO2S/c1-21(2)15-8-6-14(7-9-15)20-17(5-4-12-22)18-13-16(23-3)10-11-19(18)24-20/h6-11,13,22H,12H2,1-3H3 NHRNVKYKZDAAPC-UHFFFAOYSA-N 79958 3-[2-[4-(dimethylamino)phenyl]-5-methoxy-1-benzothiophen-3-yl]prop-2-yn-1-ol::SMR001355624::MLS002391659::3-[2-[4-(dimethylamino)phenyl]-5-methoxy-1-benzothiophen-3-yl]-2-propyn-1-ol::cid_44142494::3-[2-[4-(dimethylamino)phenyl]-5-methoxy-benzothiophen-3-yl]prop-2-yn-1-ol Orexin/Hypocretin receptor type 1 Homo sapiens 6091 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79958 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79958&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44142494 252656602 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149547 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl)c1ccccc1OCc1ccccc1 |t:4,TLB:2:4:11:8.9| InChI=1S/C31H31ClN2O5/c1-37-30(35)29-24(23-11-5-7-13-27(23)39-20-21-9-3-2-4-10-21)19-22-15-16-26(29)34(22)31(36)33-17-18-38-28-14-8-6-12-25(28)32/h2-14,22,26H,15-20H2,1H3,(H,33,36) DNZABSXHTDRSQA-UHFFFAOYSA-N 79959 SMR001395348::methyl (1S,5R)-8-[2-(2-chloranylphenoxy)ethylcarbamoyl]-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate::MLS002472197::(1S,5R)-8-[[2-(2-chlorophenoxy)ethylamino]-oxomethyl]-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester::cid_44144121::methyl (1S,5R)-8-[2-(2-chlorophenoxy)ethylcarbamoyl]-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate::(1S,5R)-3-(2-benzoxyphenyl)-8-[2-(2-chlorophenoxy)ethylcarbamoyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 3709 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79959 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79959&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44144121 252656603 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149548 COc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C18H19ClN2O4S/c1-25-17-7-3-2-5-15(17)20-18(22)16-6-4-12-21(16)26(23,24)14-10-8-13(19)9-11-14/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22) PIHCOUNEIQIOLH-UHFFFAOYSA-N 79960 cid_1084866::(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)-2-pyrrolidinecarboxamide::MLS002251662::SMR001314050::(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 1212 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79960 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79960&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 1084866 252656604 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149549 CC(OC(=O)c1oc2ccccc2c1C)C(=O)N(C)Cc1ccccc1 InChI=1S/C21H21NO4/c1-14-17-11-7-8-12-18(17)26-19(14)21(24)25-15(2)20(23)22(3)13-16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3 VEZLITRWVQHJDJ-UHFFFAOYSA-N 79961 [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate::[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate::cid_4537700::MLS002245400::SMR001309052::3-methyl-2-benzofurancarboxylic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester::3-methylcoumarilic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Orexin/Hypocretin receptor type 1 Homo sapiens 716.97 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79961 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79961&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 4537700 252656605 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149550 OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](NC1=O)c1ccccc1 |c:17| InChI=1S/C34H37FN2O5/c35-30-17-15-25(16-18-30)21-29-14-8-7-13-28(22-32(39)37(19-20-38)23-26-9-3-1-4-10-26)33(40)36-31(24-42-34(29)41)27-11-5-2-6-12-27/h1-12,15-18,28-29,31,38H,13-14,19-24H2,(H,36,40) HAELHCQHHHCRMH-UHFFFAOYSA-N 79962 cid_44201568::N-benzyl-2-[(3S,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide::2-[(3S,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-bis(oxidanylidene)-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide::SMR001337626::MLS002320001::2-[(3S,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide::N-benzyl-2-[(3S,6R,8Z,11R)-11-(4-fluorobenzyl)-5,12-diketo-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 12016 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79962 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79962&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44201568 252656606 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149551 CC(C)(C)OC(=O)C[C@@H]1C\C=C/C[C@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N[C@@H](COC1=O)C(C)(C)C |c:10| InChI=1S/C31H46N2O7/c1-30(2,3)25-20-39-29(38)23(18-27(36)40-31(4,5)6)15-11-10-14-22(28(37)33-25)17-26(35)32-24(19-34)16-21-12-8-7-9-13-21/h7-13,22-25,34H,14-20H2,1-6H3,(H,32,35)(H,33,37) CFKXLZMHZOCZAV-UHFFFAOYSA-N 79963 SMR001337713::2-[(3R,6R,8Z,11S)-3-tert-butyl-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid tert-butyl ester::cid_44201634::MLS002320088::tert-butyl 2-[(3R,6R,8Z,11S)-3-tert-butyl-5,12-bis(oxidanylidene)-6-[2-oxidanylidene-2-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]-1-oxa-4-azacyclododec-8-en-11-yl]ethanoate::tert-butyl 2-[(3R,6R,8Z,11S)-3-tert-butyl-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetate::2-[(3R,6R,8Z,11S)-6-[2-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]-3-tert-butyl-5,12-diketo-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid tert-butyl ester Orexin/Hypocretin receptor type 1 Homo sapiens 520.24 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79963 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79963&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44201634 252656607 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149552 COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN(C)C)cc1 InChI=1S/C26H27NO3S/c1-27(2)14-15-30-20-10-8-18(9-11-20)25-23-17-22(29-4)12-13-24(23)31-26(25)19-6-5-7-21(16-19)28-3/h5-13,16-17H,14-15H2,1-4H3 GSFVSUDIBTYRBH-UHFFFAOYSA-N 75438 SMR001397780::2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethylethanamine::MLS002473613::cid_44202257::2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethyl-ethanamine::2-[4-[5-methoxy-2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine Orexin/Hypocretin receptor type 1 Homo sapiens >66225 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75438 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=75438&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44202257 252652647 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149553 C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O InChI=1S/C36H39FN4O5/c1-24-20-41(25(2)23-42)35(43)31-10-7-11-32(39-36(44)38-28-16-14-27(37)15-17-28)34(31)46-33(24)22-40(3)21-26-12-18-30(19-13-26)45-29-8-5-4-6-9-29/h4-19,24-25,33,42H,20-23H2,1-3H3,(H2,38,39,44) SCAUOYDVVUBTHZ-UHFFFAOYSA-N 79964 SMR001398180::1-(4-fluorophenyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea::cid_44202616::MLS002474019::1-(4-fluorophenyl)-3-[(2S,3R)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea::1-(4-fluorophenyl)-3-[(2S,3R)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl-(4-phenoxybenzyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea Orexin/Hypocretin receptor type 1 Homo sapiens >66232 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79964 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79964&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44202616 252656608 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149554 Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 InChI=1S/C18H19ClN2O3S/c1-13-4-2-5-15(12-13)20-18(22)17-6-3-11-21(17)25(23,24)16-9-7-14(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22) QJTDQWXWOIYYOT-UHFFFAOYSA-N 79965 MLS002247905::(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide::(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)-2-pyrrolidinecarboxamide::cid_2315573::SMR001315389::(2S)-1-(4-chlorophenyl)sulfonyl-N-(m-tolyl)pyrrolidine-2-carboxamide Orexin/Hypocretin receptor type 1 Homo sapiens 152.74 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79965 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79965&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 2315573 252656609 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149555 Cc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccccc1C)c1cccc(Cl)c1)C(O)=O |c:10| InChI=1S/C26H24ClNO4S/c1-17-10-12-19(13-11-17)23-15-14-22(26(29)30)25(20-7-5-8-21(27)16-20)28(23)33(31,32)24-9-4-3-6-18(24)2/h3-14,16,23,25H,15H2,1-2H3,(H,29,30) LAEMLQRFDSUBJD-UHFFFAOYSA-N 79966 SMR001475898::MLS002554603::(2S,6S)-6-(3-chlorophenyl)-2-(4-methylphenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid::cid_16656525::(2S,6S)-6-(3-chlorophenyl)-1-(o-tolylsulfonyl)-2-(p-tolyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid Orexin/Hypocretin receptor type 1 Homo sapiens 600.86 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79966 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79966&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 16656525 252656610 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6 149556 CC[C@@]12[C@H](C[C@H](CC(=O)NC\C=C(/C)CCC=C(C)C)C(=O)N1CCc1c2[nH]c2cc(ccc12)-c1ccco1)C(=O)N1CCN(CC1)C(=O)c1ccco1 |wU:5.5,wD:2.1,3.43,(11.18,3.81,;12.32,2.78,;13.68,3.5,;14.15,1.97,;15.72,1.62,;16.79,2.81,;18.3,2.5,;19.33,3.65,;18.84,5.11,;20.83,3.33,;21.86,4.48,;23.37,4.17,;24.39,5.31,;23.91,6.78,;25.9,5,;26.93,6.15,;28.43,5.83,;29.46,6.98,;30.97,6.67,;28.98,8.44,;16.29,4.33,;17.3,5.49,;14.71,4.64,;14.24,6.11,;12.73,6.43,;11.7,5.28,;12.17,3.82,;10.93,2.92,;9.7,3.82,;8.14,3.47,;7.06,4.64,;7.56,6.16,;9.12,6.48,;10.17,5.28,;5.56,4.31,;4.41,5.34,;3.08,4.56,;3.41,3.06,;4.94,2.9,;13.11,.83,;11.61,1.17,;13.57,-.64,;12.52,-1.77,;12.98,-3.24,;14.49,-3.58,;15.53,-2.45,;15.07,-.97,;14.94,-5.05,;16.45,-5.39,;13.9,-6.18,;12.37,-6,;11.73,-7.4,;12.86,-8.44,;14.2,-7.69,)| InChI=1S/C43H51N5O6/c1-5-43-34(41(51)46-19-21-47(22-20-46)42(52)37-12-8-24-54-37)25-31(27-38(49)44-17-15-29(4)10-6-9-28(2)3)40(50)48(43)18-16-33-32-14-13-30(36-11-7-23-53-36)26-35(32)45-39(33)43/h7-9,11-15,23-24,26,31,34,45H,5-6,10,16-22,25,27H2,1-4H3,(H,44,49) JWCORXGARXYQHK-UHFFFAOYSA-N 79967 MLS002642845::2-[(1S,3R,12bS)-12b-ethyl-10-(furan-2-yl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethanamide::SMR001551227::2-[(1S,3R,12bS)-12b-ethyl-10-(2-furanyl)-1-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide::cid_44601856::2-[(1S,3R,12bS)-12b-ethyl-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-10-(furan-2-yl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide::2-[(1S,3R,12bS)-12b-ethyl-1-[4-(2-furoyl)piperazine-1-carbonyl]-10-(2-furyl)-4-keto-1,2,3,6,7,12-hexahydropyrido[2,1-a]-carbolin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide Orexin/Hypocretin receptor type 1 Homo sapiens 1067 PubChem 10.7270/Q2S75DTS aid504701 PubChem, PC 4/22/2011 8/3/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79967 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5448&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79967&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search 44601856 252656611 1 MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP 4ZJC,4ZJ8 Orexin/Hypocretin receptor type 1 OX1R_HUMAN O43613 A8K3A6 Q9HBV6