Reaction Details |
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Target | Beta-carbonic anhydrase 1 |
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Ligand | BDBM54376 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_700107 (CHEMBL1646989) |
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Ki | 4.8±n/a nM |
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Citation | Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Inhibition ofß-carbonic anhydrases with ureido-substituted benzenesulfonamides. Bioorg Med Chem Lett21:102-5 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Beta-carbonic anhydrase 1 |
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Name: | Beta-carbonic anhydrase 1 |
Synonyms: | β-Carbonic anhydrase 1 (CA 1) | Carbonic Anhydrase (mtCA 1) | MTCA1_MYCTU | Uncharacterized protein Rv1284/MT1322 | canA | mtcA1 |
Type: | Enzyme |
Mol. Mass.: | 18186.06 |
Organism: | Mycobacterium tuberculosis |
Description: | The recombinant GST-mtCA1 construct was cloned, expressed, and further purified from E. coli. The purified protein was used in inhibition assays. |
Residue: | 163 |
Sequence: | MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAG
CVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESY
PDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP
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BDBM54376 |
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n/a |
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Name | BDBM54376 |
Synonyms: | 6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester | 6-hexyl-7-hydroxy-2-keto-chromene-3-carboxylic acid ethyl ester | 6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester | MLS000777587 | SMR000413981 | cid_5545047 | ethyl 6-hexyl-7-hydroxy-2-oxochromene-3-carboxylate | ethyl 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate |
Type | Small organic molecule |
Emp. Form. | C18H22O5 |
Mol. Mass. | 318.3643 |
SMILES | CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O |
Structure |
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