Reaction Details Report a problem with these data
Target
Beta-carbonic anhydrase 1
Ligand
BDBM50339597
Substrate
n/a
Meas. Tech.
ChEMBL_736723 (CHEMBL1695104)
Ki
12200±n/a nM
Citation
 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Mühlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem 54:1682-92 (2011) [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:
BDBM50339597
Synonyms:
CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C15H14ClNO2
Mol. Mass.:
275.73
SMILES:
Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Structure:
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