Structure of PDB 9ep8 Chain D Binding Site BS01 |
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| Ligand ID | A1H6L |
| InChI | InChI=1S/C23H19N3O/c27-22-15-18-14-17(20-8-11-24-23-21(20)9-12-25-23)7-6-16(18)10-13-26(22)19-4-2-1-3-5-19/h1-9,11-12,14H,10,13,15H2,(H,24,25) |
| InChIKey | ZOBOJXLVNHCFCC-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)N2CCc3ccc(cc3CC2=O)c4ccnc5c4cc[nH]5 | | CACTVS 3.385 | O=C1Cc2cc(ccc2CCN1c3ccccc3)c4ccnc5[nH]ccc45 |
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| Formula | C23 H19 N3 O |
| Name | 8-(azaindolyl)-benzoazepinone;
3-phenyl-7-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-2,5-dihydro-1~{H}-3-benzazepin-4-one |
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| DrugBank | |
| ZINC |
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| PDB chain | 9ep8 Chain D Residue 501
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