Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM239157
Substrate
n/a
Meas. Tech.
Esterase Activity Assay
pH
7.4±n/a
Ki
3.76e+3±n/a nM
Comments
extracted
Citation
 Koz, ÿ; Ekinci, D; Perrone, A; Piacente, S; Alankus-Çaliskan, ÿ; Bedir, E; Supuran, CT Analysis of saponins and phenolic compounds as inhibitors of a-carbonic anhydrase isoenzymes. J Enzyme Inhib Med Chem 28:412-7 (2013) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 4
Synonyms:
CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV)
Type:
Enzyme
Mol. Mass.:
35037.98
Organism:
Homo sapiens (Human)
Description:
P22748
Residue:
312
Sequence:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
  
Inhibitor
Name:
BDBM239157
Synonyms:
α-CA inhibitor, 2
Type:
Small organic molecule
Emp. Form.:
C27H30O16
Mol. Mass.:
610.5175
SMILES:
OC1C[C@@H](OCC2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@@H](O)C(O)[C@@H]2O)C(O)[C@@H](O)C1O |r|
Structure:
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