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Target
Carbonic anhydrase 1
Ligand
BDBM239168
Substrate
BDBM237235
Meas. Tech.
Esterase Assay
pH
7.4±n/a
Ki
1.190e+6± 1.400e+6 nM
IC50
3.22e+3±n/a nM
Comments
extracted
Citation
 Nar, M; Çetinkaya, Y; Gülçin, Ä°; Menzek, A (3,4-Dihydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone and its derivatives as carbonic anhydrase isoenzymes inhibitors. J Enzyme Inhib Med Chem 28:402-6 (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:
BDBM239168
Synonyms:
Carbonic anhydrase isoenzymes inhibitor, 14
Type:
Small organic molecule
Emp. Form.:
C13H8Br2O6
Mol. Mass.:
420.007
SMILES:
Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM237235
Synonyms:
4-Nitrophenylacetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
OC(=O)Cc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: