Reaction Details Report a problem with these data
Target
Beta-carbonic anhydrase 1
Ligand
BDBM50258635
Substrate
n/a
Meas. Tech.
ChEMBL_519733 (CHEMBL938996)
Ki
7.6±n/a nM
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 Chem 52:4063-7 (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:
BDBM50258635
Synonyms:
1-(3-(4-fluorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(4-methylphenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL468294
Type:
Small organic molecule
Emp. Form.:
C23H22FN4O3S
Mol. Mass.:
453.509
SMILES:
Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(F)cc2)S(N)(=O)=O)c(C)c1
Structure:
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