Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM237338
Substrate
n/a
Meas. Tech.
Carbonic Anhydrase I, II, IV and XII Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
59.8±0.0 nM
Comments
extracted
Citation
 Supuran, CT; Maresca, A; Gregán, F; Remko, M Three new aromatic sulfonamide inhibitors of carbonic anhydrases I, II, IV and XII. J Enzyme Inhib Med Chem 28:289-93 (2013) [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:
BDBM237338
Synonyms:
N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulfonamide (I-3)
Type:
Small organic molecule
Emp. Form.:
C19H27N3O5S2
Mol. Mass.:
441.565
SMILES:
CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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