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TargetAldehyde dehydrogenase X, mitochondrial
LigandBDBM50076544
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1473083
IC50>100000±n/a nM
Citation Morgan, CAHurley, TD Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem58:1964-75 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldehyde dehydrogenase X, mitochondrial
Name:Aldehyde dehydrogenase X, mitochondrial
Synonyms:ALDH1B1 | ALDH5 | ALDHX | Aldehyde dehydrogenase 5 | Aldehyde dehydrogenase X, mitochondrial | Aldehyde dehydrogenase family 1 member B1
Type:PROTEIN
Mol. Mass.:57207.14
Organism:Homo sapiens
Description:ChEMBL_109700
Residue:517
Sequence:
MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPT
TGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNLLADLVERDRVYLA
SLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCG
QIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITG
YGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADM
EHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGP
QVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGP
VQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHT
PFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS
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  Blast E-value cutoff:
BDBM50076544
n/a
NameBDBM50076544
Synonyms:CHEMBL3416553
TypeSmall organic molecule
Emp. Form.C23H32N6O3
Mol. Mass.440.5386
SMILESCCCCn1c(CN2CCN(CC2)c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Structure
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