Structure of PDB 5vr7 Chain A Binding Site BS01 |
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| Ligand ID | A1F |
| InChI | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 |
| InChIKey | LLSQEBAUJSDHKF-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | CACTVS 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3F)ccc12 | | OpenEye OEToolkits 2.0.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C |
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| Formula | C20 H23 F N2 O3 S |
| Name | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide;
AMF1alpha |
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| PDB chain | 5vr7 Chain A Residue 300
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