Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50104896
Substrate
n/a
Meas. Tech.
ChEMBL_31176 (CHEMBL641141)
IC50
40±n/a nM
Citation
 Gao, GY; Li, DJ; Keung, WM Synthesis of potential antidipsotropic isoflavones: inhibitors of the mitochondrial monoamine oxidase-aldehyde dehydrogenase pathway. J Med Chem 44:3320-8 (2001) [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:
BDBM50104896
Synonyms:
7-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one | 7-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-3-(4-hydroxy-phenyl)-chromen-4-one | CHEMBL114083
Type:
Small organic molecule
Emp. Form.:
C21H22O7
Mol. Mass.:
386.3952
SMILES:
OCCOCCOCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Structure:
Search PDB for entries with ligand similarity: