Structure of PDB 8uar Chain E Binding Site BS03 |
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| Ligand ID | W46 |
| InChI | InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18) |
| InChIKey | ICSSJCKDRDSOOW-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN2C=CCC(=C2)C(=O)N)CO | | ACDLabs 12.01 | NC(=O)C=1CC=CN(Cc2ccc(CO)cc2)C=1 | | CACTVS 3.385 | NC(=O)C1=CN(Cc2ccc(CO)cc2)C=CC1 |
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| Formula | C14 H16 N2 O2 |
| Name | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8uar Chain E Residue 503
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