Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50261572
Substrate
n/a
Meas. Tech.
ChEMBL_531441 (CHEMBL967622)
Ki
2400±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:
BDBM50261572
Synonyms:
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{4-[(4-sulfamoyl-benzoylamino)-methyl]-[1,2,3]triazol-1-yloxy}-tetrahydro-pyran-2-carboxylic acid methyl ester | CHEMBL468346
Type:
Small organic molecule
Emp. Form.:
C17H21N5O10S
Mol. Mass.:
487.441
SMILES:
COC(=O)[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: