Structure of PDB 7std Chain C Binding Site BS02 |
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Ligand ID | CRP |
InChI | InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1 |
InChIKey | RXDMAYSSBPYBFW-RULNRJAQSA-N |
SMILES | Software | SMILES |
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CACTVS 3.341 | CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c2ccc(Cl)cc2 | CACTVS 3.341 | CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2 | OpenEye OEToolkits 1.5.0 | CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl | OpenEye OEToolkits 1.5.0 | CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl | ACDLabs 10.04 | O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl |
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Formula | C15 H18 Cl3 N O |
Name | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE; CARPROPAMID |
ChEMBL | CHEMBL147792 |
DrugBank | DB02946 |
ZINC | ZINC000006424732
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PDB chain | 7std Chain C Residue 602
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