Structure of PDB 5vro Chain A Binding Site BS01 |
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| Ligand ID | A7S |
| InChI | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 |
| InChIKey | FXANTWUOZJIPKO-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C | | ACDLabs 12.01 | c1(cc(F)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | CACTVS 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)c(F)c3)ccc12 |
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| Formula | C20 H23 F N2 O3 S |
| Name | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide;
AMF1beta |
| ChEMBL | |
| DrugBank | |
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| PDB chain | 5vro Chain A Residue 300
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