Structure of PDB 3oyq Chain A Binding Site BS02 |
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| Ligand ID | OYQ |
| InChI | InChI=1S/C13H20N2O3S/c1-3-10(2)4-9-13(16)15-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1 |
| InChIKey | NTFBKJBQQKWQSL-JTQLQIEISA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | O=S(=O)(N)c1ccc(NC(=O)CCC(C)CC)cc1 | | CACTVS 3.370 | CC[CH](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O | | OpenEye OEToolkits 1.7.0 | CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N | | OpenEye OEToolkits 1.7.0 | CCC(C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N | | CACTVS 3.370 | CC[C@H](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
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| Formula | C13 H20 N2 O3 S |
| Name | (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 3oyq Chain A Residue 263
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