Reaction Details Report a problem with these data
Target
Retinal dehydrogenase 2
Ligand
BDBM50538685
Substrate
n/a
Meas. Tech.
ChEMBL_1973871 (CHEMBL4606689)
IC50
27600±n/a nM
Citation
 Quattrini, L; Gelardi, ELM; Petrarolo, G; Colombo, G; Ferraris, DM; Picarazzi, F; Rizzi, M; Garavaglia, S; La 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:
Retinal dehydrogenase 2
Synonyms:
Aldehyde dehydrogenase family 1 member A2 | RALDH 2 | RALDH(II) | Retinal dehydrogenase 2 | Retinaldehyde-specific dehydrogenase type 2 | AL1A2_HUMAN | ALDH1A2 | RALDH2
Type:
PROTEIN
Mol. Mass.:
56720.77
Organism:
Human
Description:
ChEMBL_109700
Residue:
518
Sequence:
MTSSKIEMPGEVKADPAALMASLHLLPSPTPNLEIKYTKIFINNEWQNSESGRVFPVYNPATGEQVCEVQEADKADIDKAVQAARLAFSLGSVWRRMDASERGRLLDKLADLVERDRAVLATMESLNGGKPFLQAFYVDLQGVIKTFRYYAGWADKIHGMTIPVDGDYFTFTRHEPIGVCGQIIPWNFPLLMFAWKIAPALCCGNTVVIKPAEQTPLSALYMGALIKEAGFPPGVINILPGYGPTAGAAIASHIGIDKIAFTGSTEVGKLIQEAAGRSNLKRVTLELGGKSPNIIFADADLDYAVEQAHQGVFFNQGQCCTAGSRIFVEESIYEEFVRRSVERAKRRVVGSPFDPTTEQGPQIDKKQYNKILELIQSGVAEGAKLECGGKGLGRKGFFIEPTVFSNVTDDMRIAKEEIFGPVQEILRFKTMDEVIERANNSDFGLVAAVFTNDINKALTVSSAMQAGTVWINCYNALNAQSPFGGFKMSGNGREMGEFGLREYSEVKTVTVKIPQKNS
  
Inhibitor
Name:
BDBM50538685
Synonyms:
CHEMBL4644541
Type:
Small organic molecule
Emp. Form.:
C19H13ClN2
Mol. Mass.:
304.78
SMILES:
Clc1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: