Structure of PDB 8saf Chain A Binding Site BS02 |
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| Ligand ID | ZUJ |
| InChI | InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23) |
| InChIKey | VZWHIVSDDFPQBV-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1 | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3CCC(=O)Oc3c2)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1NC(=O)COc2ccc3c(c2)OC(=O)CC3)S(=O)(=O)N |
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| Formula | C17 H16 N2 O6 S |
| Name | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide;
coumarin benzene sulfonamide SG1-51 |
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| DrugBank | |
| ZINC |
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| PDB chain | 8saf Chain A Residue 302
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| Enzyme Commision number |
4.2.1.1: carbonic anhydrase.
4.2.1.69: cyanamide hydratase. |
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