Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM118196
Substrate
n/a
Meas. Tech.
ALDH2 Assay
pH
7.4±n/a
IC50
<4.9±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:
BDBM118196
Synonyms:
US8673966, N-(4-(7-((1-methyl-1H-imidazol-5-yl)ethynyl)- 4-oxo-4H-chromen-3-yl)phenyl)methane-sulfonamide
Type:
n/a
Emp. Form.:
C22H17N3O4S
Mol. Mass.:
419.453
SMILES:
Cn1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
Structure:
Search PDB for entries with ligand similarity: