Structure of PDB 7qse Chain AAA Binding Site BS01 |
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| Ligand ID | EUM |
| InChI | InChI=1S/C22H23N5O4S/c23-19-3-1-2-4-20(19)27-22(29)16-7-9-17(10-8-16)25-14-21(28)26-13-15-5-11-18(12-6-15)32(24,30)31/h1-12,25H,13-14,23H2,(H,26,28)(H,27,29)(H2,24,30,31) |
| InChIKey | KRLAWRCHRJIBIQ-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)N)NC(=O)c2ccc(cc2)NCC(=O)NCc3ccc(cc3)S(=O)(=O)N | | CACTVS 3.385 | Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2 |
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| Formula | C22 H23 N5 O4 S |
| Name | ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide;
N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide |
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| PDB chain | 7qse Chain AAA 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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