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Target
Carbonic anhydrase 1
Ligand
BDBM178050
Substrate
n/a
Meas. Tech.
CA I and II Esterase Assay
Ki
655.77±96.30 nM
IC50
601.56±0.0 nM
Citation
 Artunç, T; Çetinkaya, Y; Göçer, H; Gülçin, Ä°; Menzek, A; Sahin, E; Supuran, CT Synthesis of 4-[2-(3,4-dimethoxybenzyl)cyclopentyl]-1,2-dimethoxybenzene Derivatives and Evaluations of Their Carbonic Anhydrase Isoenzymes Inhibitory Effects. Chem Biol Drug Des 87:594-607 (2016) [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:
BDBM178050
Synonyms:
(3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol (13)
Type:
Small organic molecule
Emp. Form.:
C22H26O5
Mol. Mass.:
370.4388
SMILES:
COc1ccc(cc1OC)C(O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16|
Structure:
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