Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase
LigandBDBM11639
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1543853 (CHEMBL3749743)
Ki 6.9±n/a nM
Citation Vullo, DBhatt, AMahon, BPMcKenna, RSupuran, CT Sulfonamide inhibition studies of thea-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2, TcruCA. Bioorg Med Chem Lett26:401-5 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase
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:
MRKILISAVLVLSSISISFAEHEWSYEGEKGPEHWAQLKPEFFWCKLKNQSPINIDKKYK
VKANLPKLNLYYKTAKESEVVNNGHTIQINIKEDNTLNYLGEKYQLKQFHFHTPSEHTIE
KKSYPLEIHFVHKTEDGKILVVGVMAKLGKTNKELDKILNVAPAEEGEKILDKNLNLNNL
IPKDKRYMTYSGSLTTPPCTEGVRWIVLKKPISISKQQLEKLKSVMVNPNNRPVQEINSR
WIIEGF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11639
n/a
NameBDBM11639
Synonyms:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662
TypeSmall organic molecule
Emp. Form.C17H14F3N3O2S
Mol. Mass.381.372
SMILESCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: