Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM10866
Substrate
n/a
Meas. Tech.
ChEMBL_801827 (CHEMBL1947439)
Ki
552±n/a nM
Citation
 Ohradanova, A; Vullo, D; Pastorekova, S; Pastorek, J; Jackson, DJ; Wörheide, G; Supuran, CT Cloning, characterization and sulfonamide inhibition studies of ana-carbonic anhydrase from the living fossil sponge Astrosclera willeyana. Bioorg Med Chem 20:1403-10 (2012) [PubMed]  Article 
Target
Name:
Carbonic anhydrase
Synonyms:
Astrosclerin-3
Type:
PROTEIN
Mol. Mass.:
33233.07
Organism:
Astrosclera willeyana
Description:
ChEMBL_801827
Residue:
292
Sequence:
MMAYKVLHFVVISLGLVTLVASRCDFNYYNQRAWLSCPGSQCGGNRQSPINIDTEKTKANNSLIALRFNDYDDPVDGDFENLGTTVEFVPETKDATLTNHLGTYDLLQFHFHWGRDSSEGSEHRIDDEQYSAEIHFVHLKQGASPSDTAGDTFSVVAVLCEAADIPIRGVWAKLSPVPTGHEDSHSVSDLVYTDLLPRNRDYYHYEGSLTTPLCDETVQWFVLKNTIKIPKAFLTMLRRVESDEDGTLLTFNFRNLQRLNGRQVFEFPPDVDNGEDKKRKRRNNRHGRDHHG
  
Inhibitor
Name:
BDBM10866
Synonyms:
4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide | CHEMBL418 | aromatic/heteroaromatic sulfonamide 11
Type:
Small organic molecule
Emp. Form.:
C7H8F3N3O4S2
Mol. Mass.:
319.281
SMILES:
Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: