Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50093536
Substrate
n/a
Meas. Tech.
ChEMBL_28556 (CHEMBL641008)
IC50
800±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:
BDBM50093536
Synonyms:
7-Allyloxy-3-(4-hydroxy-phenyl)-chromen-4-one | CHEMBL112165
Type:
Small organic molecule
Emp. Form.:
C18H14O4
Mol. Mass.:
294.3014
SMILES:
Oc1ccc(cc1)-c1coc2cc(OCC=C)ccc2c1=O
Structure:
Search PDB for entries with ligand similarity: