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Target
Retinal dehydrogenase 2
Ligand
BDBM50567376
Substrate
n/a
Meas. Tech.
ChEMBL_2103062 (CHEMBL4811565)
IC50
100±n/a nM
Citation
 Huddle, BC; Grimley, E; Chtcherbinine, M; Buchman, CD; Takahashi, C; Debnath, B; McGonigal, SC; Mao, S; Li, S; Felton, J; Pan, S; Wen, B; Sun, D; Neamati, N; Buckanovich, RJ; Hurley, TD; Larsen, SD Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur J Med Chem 211:0 (2021) [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:
BDBM50567376
Synonyms:
CHEMBL4848831
Type:
Small organic molecule
Emp. Form.:
C20H18N4O2S
Mol. Mass.:
378.46
SMILES:
CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(O)c1
Structure:
Search PDB for entries with ligand similarity: