Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM13063
Substrate
n/a
Meas. Tech.
ChEMBL_1543853 (CHEMBL3749743)
Ki
5.3±n/a nM
Citation
 Vullo, D; Bhatt, A; Mahon, BP; McKenna, R; Supuran, CT Sulfonamide inhibition studies of thea-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2, TcruCA. Bioorg Med Chem Lett 26:401-5 (2016) [PubMed]  Article 
Target
Name:
Carbonic anhydrase
Synonyms:
4.2.1.1 | Carbonate dehydratase
Type:
PROTEIN
Mol. Mass.:
28438.71
Organism:
Sulfurihydrogenibium sp. (strain YO3AOP1)
Description:
ChEMBL_116696
Residue:
246
Sequence:
MRKILISAVLVLSSISISFAEHEWSYEGEKGPEHWAQLKPEFFWCKLKNQSPINIDKKYKVKANLPKLNLYYKTAKESEVVNNGHTIQINIKEDNTLNYLGEKYQLKQFHFHTPSEHTIEKKSYPLEIHFVHKTEDGKILVVGVMAKLGKTNKELDKILNVAPAEEGEKILDKNLNLNNLIPKDKRYMTYSGSLTTPPCTEGVRWIVLKKPISISKQQLEKLKSVMVNPNNRPVQEINSRWIIEGF
  
Inhibitor
Name:
BDBM13063
Synonyms:
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide | Bextra | CHEMBL865 | VLX | Valdecoxib | cid_119607
Type:
Small organic molecule
Emp. Form.:
C16H14N2O3S
Mol. Mass.:
314.359
SMILES:
Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: