Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50079052
Substrate
n/a
Meas. Tech.
ChEMBL_45434 (CHEMBL657034)
Ki
48.0±n/a nM
Citation
 Agrawal, VK; Khadikar, PV Modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy. Bioorg Med Chem Lett 13:447-53 (2003) [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:
BDBM50079052
Synonyms:
6-(5-Chloro-2,4-disulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid | CHEMBL328946
Type:
Small organic molecule
Emp. Form.:
C13H11ClN4O7S2
Mol. Mass.:
434.832
SMILES:
NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)cc1Cl)S(N)(=O)=O
Structure:
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