Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase X, mitochondrial
Ligand
BDBM50236905
Substrate
n/a
Meas. Tech.
ChEMBL_1659723 (CHEMBL4009335)
IC50
160±n/a nM
Citation
 Buchman, CD; Hurley, TD Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J Med Chem 60:2439-2455 (2017) [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:
BDBM50236905
Synonyms:
CHEMBL1349972
Type:
Small organic molecule
Emp. Form.:
C16H14O3
Mol. Mass.:
254.2806
SMILES:
Cc1oc2cc3oc(=O)c4CCCc4c3cc2c1C
Structure:
Search PDB for entries with ligand similarity: