Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50538688
Substrate
n/a
Meas. Tech.
ChEMBL_1973866 (CHEMBL4606684)
Ki
79500±n/a nM
Citation
 Quattrini, LGelardi, ELMPetrarolo, GColombo, GFerraris, DMPicarazzi, FRizzi, MGaravaglia, SLa Motta, C Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2- ACS Med Chem Lett 11:963-970 (2020) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase 1A1
Synonyms:
AL1A1_HUMAN | ALDC | ALDH-E1 | ALDH1 | ALDH1A1 | ALHDII | Aldehyde dehydrogenase 1A1 (ALDH1A1) | Aldehyde dehydrogenase family 1 member A1 | Aldehyde dehydrogenase family 1 member A1 (ALDH1A1) | Aldehyde dehydrogenase, cytosolic | PUMB1 | RALDH 1 | RalDH1 | Retinal dehydrogenase 1
Type:
Protein
Mol. Mass.:
54862.21
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
501
Sequence:
MSSSGTPDLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKEDVDKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYLNDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKIGPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQGQCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDLIESGKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKRANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGEYGFHEYTEVKTVTVKISQKNS
  
Inhibitor
Name:
BDBM50538688
Synonyms:
CHEMBL4642789
Type:
Small organic molecule
Emp. Form.:
C21H16N2O2
Mol. Mass.:
328.3639
SMILES:
COC(=O)c1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: