Structure of PDB 6f23 Chain B Binding Site BS01 |
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| Ligand ID | C8Z |
| InChI | InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)/t15-/m1/s1 |
| InChIKey | GUMMAYIOLPYJKE-OAHLLOKOSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C2CCCN2c3ccnc4c3cc[nH]4 | | CACTVS 3.385 | C1C[CH](N(C1)c2ccnc3[nH]ccc23)c4ccccc4 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4 | | CACTVS 3.385 | C1C[C@@H](N(C1)c2ccnc3[nH]ccc23)c4ccccc4 |
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| Formula | C17 H17 N3 |
| Name | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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| ZINC |
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| PDB chain | 6f23 Chain B Residue 200
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