Structure of PDB 4bo4 Chain D Binding Site BS01 |
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Ligand ID | 36G |
InChI | InChI=1S/C17H18N2O2/c1-21-16-11-5-3-9-14(16)18-17(20)19-12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,18,20) |
InChIKey | VGJHYDGTJKYGLB-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | O=C(Nc1ccccc1OC)N3c2ccccc2CCC3 | CACTVS 3.385 | COc1ccccc1NC(=O)N2CCCc3ccccc23 | OpenEye OEToolkits 1.9.2 | COc1ccccc1NC(=O)N2CCCc3c2cccc3 |
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Formula | C17 H18 N2 O2 |
Name | N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide |
ChEMBL | |
DrugBank | |
ZINC | ZINC000000318945
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PDB chain | 4bo4 Chain C Residue 1248
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