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Target
Carbonic anhydrase 1
Ligand
BDBM50131682
Substrate
n/a
Meas. Tech.
ChEMBL_1523549 (CHEMBL3631197)
Ki
9620±n/a nM
Citation
 Maresca, A; Akyuz, G; Osman, SM; AlOthman, Z; Supuran, CT Inhibition of mammalian carbonic anhydrase isoforms I-XIV with a series of phenolic acid esters. Bioorg Med Chem 23:7181-8 (2015) [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:
BDBM50131682
Synonyms:
CHEMBL3628132
Type:
Small organic molecule
Emp. Form.:
C25H24O6
Mol. Mass.:
420.4545
SMILES:
Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Structure:
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