Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50278700
Substrate
n/a
Meas. Tech.
ChEMBL_501257 (CHEMBL976159)
Ki
91±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:
BDBM50278700
Synonyms:
4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyranosyl]thiomethyl}-1-H-1,2,3-triazol-1-yl)benzenesulfonamide | CHEMBL519447
Type:
Small organic molecule
Emp. Form.:
C23H28N4O11S2
Mol. Mass.:
600.619
SMILES:
CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Structure:
Search PDB for entries with ligand similarity: