Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50428562
Substrate
n/a
Meas. Tech.
ChEMBL_944559 (CHEMBL2339075)
Ki
420±n/a nM
Citation
 Winum, JY; Colinas, PA; Supuran, CT Glycosidic carbonic anhydrase IX inhibitors: a sweet approach against cancer. Bioorg Med Chem 21:1419-26 (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:
BDBM50428562
Synonyms:
CHEMBL394471
Type:
Small organic molecule
Emp. Form.:
C10H16N2O7S
Mol. Mass.:
308.308
SMILES:
CC(=O)OC[C@H]1OC(CC[C@@H]1OC(C)=O)=NS(N)(=O)=O |w:15.16|
Structure:
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