Structure of PDB 6ufd Chain A Binding Site BS02 |
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| Ligand ID | Q6D |
| InChI | InChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9- |
| InChIKey | YMJYNNBBJGHAJE-ZROIWOOFSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CC(=O)\C(=C\c1sccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O | | OpenEye OEToolkits 2.0.7 | CC(=O)C(=Cc1cccs1)C(=O)Nc2ccc(cc2)S(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N | | ACDLabs 12.01 | c1csc(c1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | | CACTVS 3.385 | CC(=O)C(=Cc1sccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O |
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| Formula | C15 H14 N2 O4 S2 |
| Name | (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide |
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| PDB chain | 6ufd Chain A Residue 305
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