Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM11638
Substrate
n/a
Meas. Tech.
ChEMBL_801827 (CHEMBL1947439)
Ki
378±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:
BDBM11638
Synonyms:
CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide | SULPIRIDE,(+) | SULPIRIDE,(-) | Sulpiride | Sulpiride, SLP | Sulpiride-R | US10172837, Sulpiride
Type:
Small organic molecule
Emp. Form.:
C15H23N3O4S
Mol. Mass.:
341.426
SMILES:
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: