Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM13065
Substrate
BDBM11326
Meas. Tech.
Carbonic Anhydrase Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
>100000±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 | CA4 | CAH4_BOVIN | Carbonate dehydratase IV | Carbonic Anhydrase IV | Carbonic anhydrase | Carbonic anhydrase 4
Type:
Enzyme
Mol. Mass.:
35152.74
Organism:
Bos taurus (bovine)
Description:
Bovine isozyme, isolated from lung microsomes
Residue:
312
Sequence:
MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAKTQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSRAMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQPLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQKPIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLAPVLACLTVGFLR
Inhibitor
Name:
BDBM13065
Synonyms:
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole | CHEMBL26915 | SC-560
Type:
Small organic molecule
Emp. Form.:
C17H12ClF3N2O
Mol. Mass.:
352.738
SMILES:
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F