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Target
Carbonic anhydrase 1
Ligand
BDBM50278151
Substrate
n/a
Meas. Tech.
ChEMBL_501257 (CHEMBL976159)
Ki
7±n/a nM
Citation
 Singer, M; Lopez, M; Bornaghi, LF; Innocenti, A; Vullo, D; Supuran, CT; Poulsen, SA Inhibition of carbonic anhydrase isozymes with benzene sulfonamides incorporating thio, sulfinyl and sulfonyl glycoside moieties. Bioorg Med Chem Lett 19:2273-6 (2009) [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:
BDBM50278151
Synonyms:
(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-((1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl)methoxy)tetrahydro-2H-pyran-3-yl acetate | CHEMBL472077
Type:
Small organic molecule
Emp. Form.:
C17H22N4O9S
Mol. Mass.:
458.443
SMILES:
CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O |r|
Structure:
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