Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM4374
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
1.56e+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:
Carbonic anhydrase 2
Synonyms:
β-Carbonic anhydrase 2 (CA 2) | Carbonic anhydrase | MTCA2_MYCTU | canB | cynT | mtcA2
Type:
Enzyme
Mol. Mass.:
21788.97
Organism:
Mycobacterium tuberculosis
Description:
P9WPJ9
Residue:
207
Sequence:
MPNTNPVAAWKALKEGNERFVAGRPQHPSQSVDHRAGLAAGQKPTAVIFGCADSRVAAEIIFDQGLGDMFVVRTAGHVIDSAVLGSIEYAVTVLNVPLIVVLGHDSCGAVNAALAAINDGTLPGGYVRDVVERVAPSVLLGRRDGLSRVDEFEQRHVHETVAILMARSSAISERIAGGSLAIVGVTYQLDDGRAVLRDHIGNIGEEV
  
Inhibitor
Name:
BDBM4374
Synonyms:
(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (8) | CHEMBL66879 | p-Coumaric Acid | p-Hydroxycinnamic acid (p-HCA) | p-hydroxycinnamic acid | p-hydroxycinnamic acid (M4)
Type:
Small organic molecule
Emp. Form.:
C9H8O3
Mol. Mass.:
164.158
SMILES:
OC(=O)\C=C\c1ccc(O)cc1
Structure:
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