Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 1
LigandBDBM50190238
Substrate/Competitorn/a
Meas. Tech.ChEMBL_400479
Ki 220000±n/a nM
Citation Slawinski FSlawinski JKornicka ABrzozowski ZPomarnacka EInnocenti ASlawinski ASlawinski CT Carbonic anhydrase inhibitors. Inhibition of the cytosolic human isozymes I and II, and the transmembrane, tumor-associated isozymes IX and XII with substituted aromatic sulfonamides activatable in hypoxic tumors. Bioorg Med Chem Lett 16:4846-51 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 1
Name:Carbonic anhydrase
Synonyms:CA-I | CAB | Carbonate dehydratase I | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:Enzyme
Mol. Mass.:28873.37
Organism:Homo sapiens (Human)
Description:P00915
Residue:261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50190238
n/a
NameBDBM50190238
Synonyms:2-(aminosulfonyl)-5-chloro-4-methylphenyl -N-(4-nitrophenyl)propanehydrazonothioate | CHEMBL217638
TypeSmall organic molecule
Emp. Form.C16H17ClN4O4S2
Mol. Mass.428.914
SMILESCCC(Sc1cc(Cl)c(C)cc1S(N)(=O)=O)=NNc1ccc(cc1)[N+]([O-])=O |w:16.17|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: