Structure of PDB 7orq Chain AAA Binding Site BS03 |
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| Ligand ID | KQU |
| InChI | InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m1/s1 |
| InChIKey | OQEKMFRBPRHRCV-LLVKDONJSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O | | OpenEye OEToolkits 2.0.7 | CCCC[Se]C[C@H](C[Se]c1ccc(cc1)S(=O)(=O)N)O | | CACTVS 3.385 | CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O | | CACTVS 3.385 | CCCC[Se]C[C@@H](O)C[Se]c1ccc(cc1)[S](N)(=O)=O |
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| Formula | C13 H21 N O3 S Se2 |
| Name | 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide;
4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide |
| ChEMBL | |
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| ZINC |
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| PDB chain | 7orq Chain AAA Residue 304
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| Enzyme Commision number |
4.2.1.1: carbonic anhydrase.
4.2.1.69: cyanamide hydratase. |
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