Structure of PDB 7f35 Chain C Binding Site BS01 |
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| Ligand ID | GFN |
| InChI | InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m0/s1 |
| InChIKey | XUBOMFCQGDBHNK-JTQLQIEISA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | COc1c(N2CCN[CH](C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(O)=O | | ACDLabs 12.01 | CC4CN(c2c(F)cc1C(C(=CN(c1c2OC)C3CC3)C(O)=O)=O)CCN4 | | OpenEye OEToolkits 1.9.2 | C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F | | OpenEye OEToolkits 1.9.2 | CC1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F | | CACTVS 3.385 | COc1c(N2CCN[C@@H](C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(O)=O |
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| Formula | C19 H22 F N3 O4 |
| Name | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
Gatifloxacin |
| ChEMBL | CHEMBL428581 |
| DrugBank | |
| ZINC | ZINC000038197764
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| PDB chain | 7f35 Chain C Residue 301
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