Structure of PDB 6ufb Chain A Binding Site BS02 |
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| Ligand ID | Q64 |
| InChI | InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11- |
| InChIKey | NDDZSPLPKNIELX-WJDWOHSUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N | | CACTVS 3.385 | CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O | | ACDLabs 12.01 | c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | | CACTVS 3.385 | CC(=O)\C(=C\c1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O |
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| Formula | C17 H16 N2 O4 S |
| Name | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide |
| ChEMBL | |
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| PDB chain | 6ufb Chain A Residue 304
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