Structure of PDB 8uec Chain A Binding Site BS02 |
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| Ligand ID | WUZ |
| InChI | InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1 |
| InChIKey | XQJYUMZZHNFDCF-LLVKDONJSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl | | CACTVS 3.385 | C[CH]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl | | OpenEye OEToolkits 2.0.7 | C[C@@H]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl | | ACDLabs 12.01 | Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CC(C)C2=O)c(Cl)c1 | | CACTVS 3.385 | C[C@@H]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl |
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| Formula | C19 H16 Cl2 N2 O3 |
| Name | N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8uec Chain A Residue 405
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