Reaction Details |
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Target | Beta-carbonic anhydrase 1 |
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Ligand | BDBM50258298 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_519733 (CHEMBL938996) |
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Ki | 8.6±n/a nM |
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Citation | Güzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem52:4063-7 (2009) [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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BDBM50258298 |
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n/a |
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Name | BDBM50258298 |
Synonyms: | 1-(3-(3-methoxyphenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(3-methoxyphenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL521690 |
Type | Small organic molecule |
Emp. Form. | C24H25N4O4S |
Mol. Mass. | 465.544 |
SMILES | COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C |
Structure |
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