Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM153690
Substrate
n/a
Meas. Tech.
ALDH2 Assay
IC50
23.0±n/a nM
Citation
 Cannizzaro, CE; Graupe, M; Guerrero, JA; Lu, Y; Strickley, RG; Venkataramani, C; Zablocki, J Compounds for the treatment of addiction US Patent  US9610299 Publication Date 4/4/2017 
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:
BDBM153690
Synonyms:
US10507215, Compound 7 | US9000015, 7 | US9610299, Example 7
Type:
Small organic molecule
Emp. Form.:
C19H13ClF2N2O2
Mol. Mass.:
374.769
SMILES:
Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
Structure:
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