Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50093534
Substrate
n/a
Meas. Tech.
ChEMBL_28556 (CHEMBL641008)
IC50
9.0±n/a nM
Citation
 Rooke, N; Li, DJ; Li, J; Keung, WM The mitochondrial monoamine oxidase-aldehyde dehydrogenase pathway: a potential site of action of daidzin. J Med Chem 43:4169-79 (2000) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase, mitochondrial
Synonyms:
ALDH class 2 | ALDH-E2 | ALDH2 | ALDH2_HUMAN | ALDHI | ALDM | Aldehyde dehydrogenase (ALDH2)
Type:
Enzyme
Mol. Mass.:
56382.67
Organism:
Homo sapiens (Human)
Description:
P05091
Residue:
517
Sequence:
MLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPSTGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLAALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPGFGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGPQVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGPVMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQSPFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
  
Inhibitor
Name:
BDBM50093534
Synonyms:
7-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-heptanoic acid | CHEMBL112007
Type:
Small organic molecule
Emp. Form.:
C22H22O6
Mol. Mass.:
382.4065
SMILES:
OC(=O)CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Structure:
Search PDB for entries with ligand similarity: