Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase X, mitochondrial
Ligand
BDBM50236900
Substrate
n/a
Meas. Tech.
ChEMBL_2236380 (CHEMBL5150276)
IC50
310±n/a nM
Citation
 Li, B; Yang, K; Liang, D; Jiang, C; Ma, Z Discovery and development of selective aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors. Eur J Med Chem 209:0 (2021) [PubMed] 
Target
Name:
Aldehyde dehydrogenase X, mitochondrial
Synonyms:
1.2.1.3 | AL1B1_HUMAN | ALDH1B1 | ALDH5 | ALDHX | Aldehyde dehydrogenase 5 | Aldehyde dehydrogenase family 1 member B1
Type:
PROTEIN
Mol. Mass.:
57251.17
Organism:
Homo sapiens
Description:
ChEMBL_109700
Residue:
517
Sequence:
MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPTTGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNRLADLVERDRVYLASLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCGQIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITGYGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADMEHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGPQVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGPVQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHTPFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS
  
Inhibitor
Name:
BDBM50236900
Synonyms:
CHEMBL4072941
Type:
Small organic molecule
Emp. Form.:
C15H14O3
Mol. Mass.:
242.2699
SMILES:
Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C
Structure:
Search PDB for entries with ligand similarity: