Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM239159
Substrate
n/a
Meas. Tech.
Esterase Activity Assay
pH
7.4±n/a
Ki
2.41e+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:
BDBM239159
Synonyms:
α-CA inhibitor, 7
Type:
Small organic molecule
Emp. Form.:
C46H76O18
Mol. Mass.:
917.0848
SMILES:
CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)C3C[C@H](O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)C4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)C(O)[C@@H]1O[C@@H]1OC[C@H](O)C(O)[C@@H]1O)C4(C)C |r|
Structure:
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