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Target
Aldehyde dehydrogenase family 1 member A3
Ligand
BDBM50406340
Substrate
n/a
Meas. Tech.
ChEMBL_2266496
IC50
<100±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:
Aldehyde dehydrogenase family 1 member A3
Synonyms:
AL1A3_HUMAN | ALDH1A3 | ALDH6 | Aldehyde dehydrogenase 6 | Aldehyde dehydrogenase family 1 member A3 | RALDH-3 | RalDH3 | Retinaldehyde dehydrogenase 3
Type:
PROTEIN
Mol. Mass.:
56110.85
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109700
Residue:
512
Sequence:
MATANGAVENGQPDRKPPALPRPIRNLEVKFTKIFINNEWHESKSGKKFATCNPSTREQICEVEEGDKPDVDKAVEAAQVAFQRGSPWRRLDALSRGRLLHQLADLVERDRATLAALETMDTGKPFLHAFFIDLEGCIRTLRYFAGWADKIQGKTIPTDDNVVCFTRHEPIGVCGAITPWNFPLLMLVWKLAPALCCGNTMVLKPAEQTPLTALYLGSLIKEAGFPPGVVNIVPGFGPTVGAAISSHPQINKIAFTGSTEVGKLVKEAASRSNLKRVTLELGGKNPCIVCADADLDLAVECAHQGVFFNQGQCCTAASRVFVEEQVYSEFVRRSVEYAKKRPVGDPFDVKTEQGPQIDQKQFDKILELIESGKKEGAKLECGGSAMEDKGLFIKPTVFSEVTDNMRIAKEEIFGPVQPILKFKSIEEVIKRANSTDYGLTAAVFTKNLDKALKLASALESGTVWINCYNALYAQAPFGGFKMSGNGRELGEYALAEYTEVKTVTIKLGDKNP
  
Inhibitor
Name:
BDBM50406340
Synonyms:
CHEMBL5286018
Type:
Small organic molecule
Emp. Form.:
C23H22FN5O2S
Mol. Mass.:
451.516
SMILES:
Fc1cccc(c1)-c1nc(sc1C(=O)Nc1ccc2NC(=O)CCc2c1)N1CCNCC1
Structure:
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