Structure of PDB 1k7l Chain A Binding Site BS02 |
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Ligand ID | 544 |
InChI | InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1 |
InChIKey | GGUVRMBIEPYOKL-WMVCGJOFSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C | CACTVS 3.341 | CC(N[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)C(O)=O)=CC(=O)c4ccccc4 | CACTVS 3.341 | CC(/N[C@@H](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)C(O)=O)=C/C(=O)c4ccccc4 | OpenEye OEToolkits 1.5.0 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(C(=O)O)NC(=CC(=O)c4ccccc4)C | ACDLabs 10.04 | O=C(O)C(N/C(=C\C(=O)c1ccccc1)C)Cc4ccc(OCCc2nc(oc2C)c3ccccc3)cc4 |
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Formula | C31 H30 N2 O5 |
Name | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID; GW409544 |
ChEMBL | CHEMBL410478 |
DrugBank | |
ZINC |
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PDB chain | 1k7l Chain A Residue 469
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