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Target
Retinal dehydrogenase 2
Ligand
BDBM50406340
Substrate
n/a
Meas. Tech.
ChEMBL_2266498
IC50
10000±n/a nM
Citation
 Kargbo, RB Discovery of Selective Aldehyde Dehydrogenase Inhibitors for the Treatment of Cancer. ACS Med Chem Lett 14:131-132 (2023) [PubMed] 
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:
BDBM50406340
Synonyms:
CHEMBL5286018
Type:
Small organic molecule
Emp. Form.:
C23H22FN5O2S
Mol. Mass.:
451.53
SMILES:
Fc1cccc(c1)-c1nc(sc1C(=O)Nc1ccc2NC(=O)CCc2c1)N1CCNCC1
Structure:
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