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TargetAldehyde dehydrogenase (ALDH2)
LigandBDBM118228
Substrate/Competitorn/a
Meas. Tech.ALDH2 Assay
IC50 5±n/a nM
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 (ALDH2)
Name:Aldehyde dehydrogenase (ALDH2)
Synonyms:ALDH class 2 | ALDH-E2 | ALDHI | Aldehyde dehydrogenase, mitochondrial
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:
BDBM118228
n/a
NameBDBM118228
Synonyms:US8673966, N-(4-(7-((1-(2,2-difluorocyclopropane- carbonyl)azetidin-3-yl)ethynyl)-4-oxo-4H-chromen-3-yl)phenyl)methanesulfonamide
Typen/a
Emp. Form.C25H20F2N2O5S
Mol. Mass.498.499
SMILESCS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F
Structure
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