Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50174034
Substrate
n/a
Meas. Tech.
ChEMBL_320717 (CHEMBL881703)
Ki
3±n/a nM
Citation
 Ozensoy, O; Puccetti, L; Fasolis, G; Arslan, O; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozymes IX and XII with a library of aromatic and heteroaromatic sulfonamides. Bioorg Med Chem Lett 15:4862-6 (2005) [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:
BDBM50174034
Synonyms:
5-(4-Bromo-cyclohexa-2,4-dienesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide | CHEMBL194634
Type:
Small organic molecule
Emp. Form.:
C8H7BrN4O4S3
Mol. Mass.:
399.265
SMILES:
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1
Structure:
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