Reaction Details Report a problem with these data
Target
Carbonic anhydrase 3
Ligand
BDBM239161
Substrate
n/a
Meas. Tech.
Esterase Activity Assay
pH
7.4±n/a
Ki
2.18e+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 3
Synonyms:
CA-III | CA3 | CAH3_BOVIN | Carbonate dehydratase III | Carbonic anhydrase 3 | Carbonic anhydrase 3 (CA III) | Carbonic anhydrase III
Type:
Enzyme
Mol. Mass.:
29376.92
Organism:
Bos taurus (Cattle)
Description:
Q3SZX4
Residue:
260
Sequence:
MAKEWGYADHNGPDHWHELFPNAKGENQSPIELNTKEISHDPSLKPWTASYDPGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLAAPYRLRQFHLHWGSSDDHGSEHSVDGVKYAAELHLVHWNSKYNSYATALKHADGIAVVGVFLKIGREKGEFQLLLDALDKIKTKGKEAPFNNFNPSCLFPACRDYWTYHGSFTTPPCEECIVWLLLKEPITVSSDQIAKLRTLYSSAENEPPVPLVRNWRPPQPIKGRIVKASFK
  
Inhibitor
Name:
BDBM239161
Synonyms:
α-CA inhibitor, 9
Type:
Small organic molecule
Emp. Form.:
C46H74O18
Mol. Mass.:
915.069
SMILES:
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC([C@@H](O)C(O)[C@@H]6O[C@@H]6OC[C@@H](O)[C@H](O)C6O[C@@H]6OC(O)[C@H](O)[C@H](O)C6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2C1 |r,c:12|
Structure:
Search PDB for entries with ligand similarity: