Reaction Details Report a problem with these data
Target
Beta-carbonic anhydrase 1
Ligand
BDBM50221406
Substrate
n/a
Meas. Tech.
ChEMBL_599731 (CHEMBL1048175)
Ki
126±n/a nM
Citation
 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of the Rv1284 and Rv3273 beta-carbonic anhydrases from Mycobacterium tuberculosis with diazenylbenzenesulfonamides. Bioorg Med Chem Lett 19:4929-32 (2009) [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:
BDBM50221406
Synonyms:
6-acetamido-4-hydroxy-3-((4-sulfamoylphenyl)diazenyl)naphthalene-2,7-disulfonic acid | 6-acetylamino-4-hydroxy-3-(4-sulfamoyl-phenylazo)-naphthalene-2,7-disulfonic acid | CHEMBL237251
Type:
Small organic molecule
Emp. Form.:
C18H16N4O10S3
Mol. Mass.:
544.535
SMILES:
CC(=O)Nc1cc2c(O)c(N=Nc3ccc(cc3)S(N)(=O)=O)c(cc2cc1S(O)(=O)=O)S(O)(=O)=O |w:10.9|
Structure:
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