Structure of PDB 7oa4 Chain GGG Binding Site BS01 |
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Ligand ID | 0N8 |
InChI | InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14- |
InChIKey | DGJZJCIAWLMRBY-ZHZULCJRSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)O)O | CACTVS 3.370 | OC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(Cl)cc3 | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O | ACDLabs 12.01 | O=C(O)C(\O)=C\C(=O)C2(CCN(Cc1ccccc1)CC2)Cc3ccc(Cl)cc3 | CACTVS 3.370 | OC(=O)C(/O)=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(Cl)cc3 |
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Formula | C23 H24 Cl N O4 |
Name | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid |
ChEMBL | CHEMBL463590 |
DrugBank | |
ZINC | ZINC000100970611
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PDB chain | 7oa4 Chain GGG Residue 201
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