Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase
LigandBDBM13063
Substrate/CompetitorBDBM10856
Meas. Tech.CA Inhibition Assay
Ki 699±n/a nM
Citation Innocenti, AHall, RASchlicker, CScozzafava, ASteegborn, CMühlschlegel, FASupuran, CT Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Bioorg Med Chem17:4503-9 (2009) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Carbonic anhydrase
Name:Carbonic anhydrase
Synonyms:CAN_CANAL | NCE103 | beta-Carbonic Anhydrase
Type:Enzyme
Mol. Mass.:31587.59
Organism:Candida albicans (Yeast)
Description:n/a
Residue:281
Sequence:
MGRENILKYQLEHDHESDLVTEKDQSLLLDNNNNLNGMNNTIKTHPVRVSSGNHNNFPFT
LSSESTLQDFLNNNKFFVDSIKHNHGNQIFDLNGQGQSPHTLWIGCSDSRAGDQCLATLP
GEIFVHRNIANIVNANDISSQGVIQFAIDVLKVKKIIVCGHTDCGGIWASLSKKKIGGVL
DLWLNPVRHIRAANLKLLEEYNQDPKLKAKKLAELNVISSVTALKRHPSASVALKKNEIE
VWGMLYDVATGYLSQVEIPQDEFEDLFHVHDEHDEEEYNPH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM13063
BDBM10856
NameBDBM13063
Synonyms:4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide | Bextra | CHEMBL865 | VLX | Valdecoxib | cid_119607
TypeSmall organic molecule
Emp. Form.C16H14N2O3S
Mol. Mass.314.359
SMILESCc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: