Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM25902
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
62±n/a nM
Citation
 Temperini, C; Cecchi, A; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Bioorg Med Chem Lett 18:2567-73 (2008) [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:
BDBM25902
Synonyms:
4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid | CHEMBL35 | Frusemide | Furanthril | Furosemide | Furosemide (3) | Furosemide, 4 | Lasix | US10172837, Furosemide
Type:
Small organic molecule
Emp. Form.:
C12H11ClN2O5S
Mol. Mass.:
330.744
SMILES:
NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
Search PDB for entries with ligand similarity: