Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50172756
Substrate
n/a
Meas. Tech.
ChEMBL_482175 (CHEMBL960209)
IC50
5600±n/a nM
Citation
 Shin, KH; Woo, WS; Lim, SS; Shim, CS; Chung, HS; Kennelly, EJ; Kinghorn, AD Elgonica-Dimers A and B, Two Potent Alcohol Metabolism Inhibitory Constituents of Aloe arborescens J Nat Prod 60:1180-1182 (1997)    Article 
Target
Name:
Aldehyde dehydrogenase, mitochondrial
Synonyms:
ALDH2_RAT | Aldehyde dehydrogenase | Aldh2
Type:
PROTEIN
Mol. Mass.:
56489.77
Organism:
Rattus norvegicus
Description:
ChEMBL_592877
Residue:
519
Sequence:
MLRAALSTARRGPRLSRLLSAAATSAVPAPNQQPEVFCNQIFINNEWHDAVSKKTFPTVNPSTGEVICQVAEGNKEDVDKAVKAAQAAFQLGSPWRRMDASDRGRLLYRLADLIERDRTYLAALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPGFGPTAGAAIASHEDVDKVAFTGSTEVGHLIQVAAGSSNLKRVTLELGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDVYDEFVERSVARAKSRVVGNPFDSRTEQGPQVDETQFKKILGYIKSGQQEGAKLLCGGGAAADRGYFIQPTVFGDVKDGMTIAKEEIFGPVMQILKFKTIEEVVGRANNSKYGLAAAVFTKDLDKANYLSQALQAGTVWINCYDVFGAQSPFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
  
Inhibitor
Name:
BDBM50172756
Synonyms:
Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Eutonyl | Eutron | N-benzyl-N-methylprop-2-yn-1-amine | PARGYLINE | US9603833, Pargyline
Type:
Small organic molecule
Emp. Form.:
C11H13N
Mol. Mass.:
159.2276
SMILES:
CN(CC#C)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: