Reaction Details  Report a problem with these data
Target
Beta-carbonic anhydrase 1
Ligand
BDBM11606
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
8.3±0
Temperature
298.15±0 K
Ki
9.4e+2±n/a nM
Citation
 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Dihalogenated sulfanilamides and benzolamides are effective inhibitors of the three ß-class carbonic anhydrases from Mycobacterium tuberculosis. J Enzyme Inhib Med Chem 28:384-7 (2013) [PubMed]  Article
Target
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:
MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP
  
Inhibitor
Name:
BDBM11606
Synonyms:
β-CA inhibitor, 5 | 4-Amino-5-bromo-3-fluorobenzenesulfonamide | 4-amino-3-bromo-5-fluorobenzene-1-sulfonamide | halogenosulfanilamide deriv. 7
Type:
Small organic molecule
Emp. Form.:
C6H6BrFN2O2S
Mol. Mass.:
269.091
SMILES:
Nc1c(F)cc(cc1Br)S(N)(=O)=O
Structure:
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