Structure of PDB 7ex6 Chain C Binding Site BS03 |
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Ligand ID | 11I |
InChI | InChI=1S/C25H28ClNO4/c1-18-5-3-4-6-20(18)17-27-13-11-25(12-14-27,16-19-7-9-21(26)10-8-19)23(29)15-22(28)24(30)31-2/h3-10,15,28H,11-14,16-17H2,1-2H3/b22-15- |
InChIKey | PZKMJGGFECCDNI-JCMHNJIXSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)OC)O | CACTVS 3.385 | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2C)Cc3ccc(Cl)cc3 | OpenEye OEToolkits 2.0.7 | Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O | CACTVS 3.385 | COC(=O)\C(O)=C\C(=O)C1(CCN(CC1)Cc2ccccc2C)Cc3ccc(Cl)cc3 |
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Formula | C25 H28 Cl N O4 |
Name | methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7ex6 Chain C Residue 203
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Enzyme Commision number |
2.7.7.48: RNA-directed RNA polymerase. |
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