Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50137677
Substrate
n/a
Meas. Tech.
Enzyme Inhbition Assay
pH
7.5±0
Temperature
293.15±0 K
Ki
930±0.0 nM
Citation
 Winum, JY; Montero, JL; Vullo, D; Supuran, CT Carbonic anhydrase inhibitors: glycosylsulfanilamides act as subnanomolar inhibitors of the human secreted isoform VI. Chem Biol Drug Des 74:636-9 (2009) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | 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 | 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:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50137677
Synonyms:
4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzenesulfonamide | CHEMBL72447 | N-(p-sulfamoylphenyl)-alpha-glycopyranosylamine, 1 | N-(p-sulfamoylphenyl)-alpha-glycopyranosylamine, 2 | N-(p-sulfamoylphenyl)-alpha-glycopyranosylamine, 3
Type:
Small organic molecule
Emp. Form.:
C12H18N2O7S
Mol. Mass.:
334.346
SMILES:
NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1
Structure:
Search PDB for entries with ligand similarity: