Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 13 (CA XIII)
LigandBDBM11639
Substrate/Competitorn/a
Meas. Tech.ChEMBL_643933
Ki 98±n/a nM
Citation Avvaru BSWagner JMMaresca AScozzafava ARobbins AHSupuran CTMcKenna R Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett 20:4376-81 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 13 (CA XIII)
Name:Carbonic anhydrase 13 (CA XIII)
Synonyms:Carbonic anhydrase XIII (CA XIII)
Type:Enzyme
Mol. Mass.:29445.78
Organism:Homo sapiens (Human)
Description:Q8N1Q1
Residue:262
Sequence:
MSRLSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKII
SNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELH
VVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNF
DLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAA
FLVSNHRPPQPLKGRKVRASFH
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 | 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: