Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM29278
Substrate
n/a
Meas. Tech.
ChEMBL_1923156 (CHEMBL4426112)
Ki
18540±n/a nM
Citation
 Coviello, V; Marchi, B; Sartini, S; Quattrini, L; Marini, AM; Simorini, F; Taliani, S; Salerno, S; Orlandi, P; Fioravanti, A; Desidero, TD; Vullo, D; Da Settimo, F; Supuran, CT; Bocci, G; La Motta, C 1,2-Benzisothiazole Derivatives Bearing 4-, 5-, or 6-Alkyl/arylcarboxamide Moieties Inhibit Carbonic Anhydrase Isoform IX (CAIX) and Cell Proliferation under Hypoxic Conditions. J Med Chem 59:6547-52 (2016) [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:
BDBM29278
Synonyms:
CHEMBL310671 | Garantose | SAC | Saccharimide | Saccharin
Type:
Small organic molecule
Emp. Form.:
C7H5NO3S
Mol. Mass.:
183.185
SMILES:
O=C1NS(=O)(=O)c2ccccc12
Structure:
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