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TargetAldehyde dehydrogenase X, mitochondrial
LigandBDBM50409029
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1659723
IC50 5100±n/a nM
Citation Buchman, CDHurley, TD Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J Med Chem60:2439-2455 (2017) [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 family 1 member B1
Type:PROTEIN
Mol. Mass.:57207.14
Organism:Homo sapiens (Human)
Description:ChEMBL_109700
Residue:517
Sequence:
MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPT
TGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNLLADLVERDRVYLA
SLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCG
QIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITG
YGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADM
EHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGP
QVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGP
VQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHT
PFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50409029
NameBDBM50409029
Synonyms:DAIDZIN
TypeSmall organic molecule
Emp. Form.C21H20O9
Mol. Mass.416.3781
SMILESOC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a