Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM239168
Substrate
BDBM237235
Meas. Tech.
Esterase Assay
pH
7.4±n/a
Ki
2.8560e+7± 1.8820e+7 nM
IC50
2.447e+4±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 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
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: