Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50236900
Substrate
n/a
Meas. Tech.
ChEMBL_2236379 (CHEMBL5150275)
IC50
190±n/a nM
Citation
 Li, B; Yang, K; Liang, D; Jiang, C; Ma, Z Discovery and development of selective aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors. Eur J Med Chem 209:0 (2021) [PubMed] 
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:
BDBM50236900
Synonyms:
CHEMBL4072941
Type:
Small organic molecule
Emp. Form.:
C15H14O3
Mol. Mass.:
242.2699
SMILES:
Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C
Structure:
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