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Target
Carbonic anhydrase 1
Ligand
BDBM50261571
Substrate
n/a
Meas. Tech.
ChEMBL_531441 (CHEMBL967622)
Ki
8700±n/a nM
Citation
 Thiry, A; Supuran, CT; Masereel, B; Dogné, JM Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs. J Med Chem 51:3051-6 (2008) [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:
BDBM50261571
Synonyms:
Acetic acid (2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-{4-[(4-sulfamoyl-benzoylamino)-methyl]-[1,2,3]triazol-1-yloxy}-tetrahydro-pyran-2-ylmethyl ester | CHEMBL505415
Type:
Small organic molecule
Emp. Form.:
C24H29N5O13S
Mol. Mass.:
627.578
SMILES:
CC(=O)OC[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Structure:
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