Structure of PDB 3ryj Chain B Binding Site BS02 |
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Ligand ID | RYJ |
InChI | InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17) |
InChIKey | QTBXXSHAPCGITL-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.2 | c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N | CACTVS 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F | ACDLabs 12.01 | O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1 |
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Formula | C9 H9 F3 N2 O3 S |
Name | 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide |
ChEMBL | CHEMBL451234 |
DrugBank | |
ZINC |
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PDB chain | 3ryj Chain B Residue 1
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