Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM10876
Substrate
n/a
Meas. Tech.
ChEMBL_45434 (CHEMBL657034)
Ki
560±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:
BDBM10876
Synonyms:
4-(hydroxymethyl)benzene-1-sulfonamide | CHEMBL6919 | JMC522226 Compound 20 | JMC523116 Compound 20 | aromatic/heteroaromatic sulfonamide 21
Type:
Small organic molecule
Emp. Form.:
C7H9NO3S
Mol. Mass.:
187.216
SMILES:
NS(=O)(=O)c1ccc(CO)cc1
Structure:
Search PDB for entries with ligand similarity: