Target
Aldehyde dehydrogenase X, mitochondrial
Ligand
BDBM50076552
Substrate
n/a
Meas. Tech.
ChEMBL_1473083 (CHEMBL3421193)
IC50
>100000±n/a nM
Citation
 Morgan, CAHurley, TD Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem 58:1964-75 (2015) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase X, mitochondrial
Synonyms:
AL1B1_HUMAN | 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:
MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPTTGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNLLADLVERDRVYLASLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCGQIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITGYGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADMEHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGPQVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGPVQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHTPFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS
  
Inhibitor
Name:
BDBM50076552
Synonyms:
CHEMBL1311611
Type:
Small organic molecule
Emp. Form.:
C21H29N5O2
Mol. Mass.:
383.4873
SMILES:
CC(C)CCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: