Reaction Details Report a problem with these data
Target
Carbonic anhydrase 3
Ligand
BDBM33282
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
7.5000±n/a
Temperature
296.1500±n/a K
Ki
1206±n/a nM
Citation
 Vitale, RM; Alterio, V; Innocenti, A; Winum, JY; Monti, SM; De Simone, G; Supuran, CT Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors. J Med Chem 52:5990-8 (2009) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 3
Synonyms:
Carbonic anhydrase 3 (CA III) | CA-III | Carbonate dehydratase III | Carbonic anhydrase III (CA III) | CAH3_HUMAN | CA3 | Carbonic anhydrase | Carbonic Anhydrase III
Type:
Enzyme
Mol. Mass.:
29562.11
Organism:
Human
Description:
Human cloned isozyme.
Residue:
260
Sequence:
MAKEWGYASHNGPDHWHELFPNAKGENQSPVELHTKDIRHDPSLQPWSVSYDGGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLPGPYRLRQFHLHWGSSDDHGSEHTVDGVKYAAELHLVHWNPKYNTFKEALKQRDGIAVIGIFLKIGHENGEFQIFLDALDKIKTKGKEAPFTKFDPSCLFPACRDYWTYQGSFTTPPCEECIVWLLLKEPMTVSSDQMAKLRSLLSSAENEPPVPLVSNWRPPQPINNRVVRASFK
  
Inhibitor
Name:
BDBM33282
Synonyms:
CHEMBL171476 | bis-sulfamate, 4
Type:
Small organic molecule
Emp. Form.:
C10H24N2O6S2
Mol. Mass.:
332.11
SMILES:
C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
methanedione | Carbon Dioxide
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
43.99
SMILES:
C(=O)=O
Structure:
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