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TargetAldehyde dehydrogenase, mitochondrial
LigandBDBM22794
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1295313 (CHEMBL3128580)
Ki 34000±n/a nM
Citation Kimble-Hill, ACParajuli, BChen, CHMochly-Rosen, DHurley, TD Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J Med Chem57:714-22 (2014) [PubMed]  Article
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:
BDBM22794
n/a
NameBDBM22794
Synonyms:1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-based compound, 14
TypeSmall organic molecule
Emp. Form.C15H11NO2
Mol. Mass.237.2533
SMILESO=C1N(Cc2ccccc2)c2ccccc2C1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: