Reaction Details Report a problem with these data
Target
Beta-carbonic anhydrase 1
Ligand
BDBM50405310
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
5.87e+3±n/a nM
Comments
extracted
Citation
 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Inhibition of the ß-class carbonic anhydrases from Mycobacterium tuberculosis with carboxylic acids. J Enzyme Inhib Med Chem 28:392-6 (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:
BDBM50405310
Synonyms:
4-Nitrobenzoic acid (5) | CHEMBL101263
Type:
Small organic molecule
Emp. Form.:
C7H5NO4
Mol. Mass.:
167.1189
SMILES:
OC(=O)c1ccc(cc1)[N+]([O-])=O
Structure:
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