Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM118227
Substrate
n/a
Meas. Tech.
ALDH2 Assay
pH
7.4±n/a
IC50
35±n/a nM
Comments
extracted
Citation
 Graupe, MVenkataramani, CZablocki, J ALDH-2 inhibitors in the treatment of addiction US Patent  US8673966 Publication Date 3/18/2014 
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:
BDBM118227
Synonyms:
US8673966, N-(4-(7-((1-(1-methylpiperidine-4- carbonyl)azetidin-3-yl)ethynyl)-4-oxo-4H-chromen-3-yl)phenyl)methanesulfonamide
Type:
n/a
Emp. Form.:
C28H29N3O5S
Mol. Mass.:
519.612
SMILES:
CN1CCC(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Structure:
Search PDB for entries with ligand similarity: