Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM237363
Substrate
n/a
Meas. Tech.
CA Enzyme Assay
pH
10±n/a
IC50
3.122e+4±n/a nM
Comments
extracted
Citation
 Karatas, MO; Alici, B; Cakir, U; Cetinkaya, E; Demir, D; Ergün, A; Gençer, N; Arslan, O Synthesis and carbonic anhydrase inhibitory properties of novel coumarin derivatives. J Enzyme Inhib Med Chem 28:299-304 (2013) [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:
BDBM237363
Synonyms:
1-(2,3,5,6-Tetramethylbenzyl)-3-(4-methyl-7,8-dihydroxy-2H-chromen-2-one)benzimidazolium chloride (3h)
Type:
Small organic molecule
Emp. Form.:
C28H28N2O4
Mol. Mass.:
456.5329
SMILES:
Cc1cc(C)c(C)c(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c1C
Structure:
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