Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50303403
Substrate
n/a
Meas. Tech.
ChEMBL_1659743 (CHEMBL4009355)
Ki
6900±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 1A1
Synonyms:
Aldehyde dehydrogenase, cytosolic | Retinal dehydrogenase 1 | RalDH1 | RALDH 1 | ALHDII | Aldehyde dehydrogenase family 1 member A1 | Aldehyde dehydrogenase family 1 member A1 (ALDH1A1) | ALDH-E1 | ALDH1A1 | AL1A1_HUMAN | ALDC | ALDH1 | PUMB1 | Aldehyde dehydrogenase 1A1 (ALDH1A1)
Type:
Protein
Mol. Mass.:
54862.21
Organism:
Human
Description:
n/a
Residue:
501
Sequence:
MSSSGTPDLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKEDVDKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYLNDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKIGPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQGQCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDLIESGKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKRANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGEYGFHEYTEVKTVTVKISQKNS
  
Inhibitor
Name:
BDBM50303403
Synonyms:
cid_1633306 | CHEMBL570844 | 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: