Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldehyde dehydrogenase, mitochondrial
LigandBDBM118222
Substrate/Competitorn/a
Meas. Tech.ALDH2 Assay
pH7.4±n/a
IC50 15±n/a nM
Commentsextracted
Citation Graupe, MVenkataramani, CZablocki, J ALDH-2 inhibitors in the treatment of addiction US Patent US8673966 Publication Date 3/18/2014
More Info.:Get all data from this article,  Assay Method
 
Aldehyde dehydrogenase, mitochondrial
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:
MLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPS
TGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLA
ALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCG
QIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPG
FGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADM
DWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGP
QVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGP
VMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQS
PFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM118222
n/a
NameBDBM118222
Synonyms:US8673966, N-(4-(7-((1-(2-hydroxyacetyl)azetidin-3- yl)ethynyl)-4-oxo-4H-chromen-3-yl)phenyl)methanesulfonamide
Typen/a
Emp. Form.C23H20N2O6S
Mol. Mass.452.48
SMILESCS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)CO
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: