Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM11639
Substrate
BDBM11326
Meas. Tech.
Carbonic Anhydrase Enzyme Inhibition Assay
pH
7.4000±n/a
Temperature
298.1500±n/a K
IC50
290±n/a nM
Citation
 Weber, A; Casini, A; Heine, A; Kuhn, D; Supuran, CT; Scozzafava, A; Klebe, G Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J Med Chem 47:550-7 (2004) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 4
Synonyms:
CA-IV | Carbonic anhydrase 4 | Carbonate dehydratase IV | CAH4_BOVIN | CA4 | Carbonic anhydrase | Carbonic Anhydrase IV
Type:
Enzyme
Mol. Mass.:
35152.74
Organism:
Bovine
Description:
Bovine isozyme, isolated from lung microsomes
Residue:
312
Sequence:
MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAKTQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSRAMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQPLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQKPIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLAPVLACLTVGFLR
  
Inhibitor
Name:
BDBM11639
Synonyms:
Celecoxib | CLX | Celebrex | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | cid_2662 | US8741944, Comparative Compound | CHEMBL118 | US9388139, Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11326
Synonyms:
p-Nitrophenyl Acetate | 4-nitrophenyl acetate
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: