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Target
Aldehyde dehydrogenase family 1 member A3
Ligand
BDBM50567369
Substrate
n/a
Meas. Tech.
ChEMBL_2103063 (CHEMBL4811566)
IC50
150±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:
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:
BDBM50567369
Synonyms:
CHEMBL4873090
Type:
Small organic molecule
Emp. Form.:
C21H15N3O2S
Mol. Mass.:
373.428
SMILES:
Cn1ncc2c1c1C(=O)C(Sc1n(-c1ccccc1)c2=O)c1ccccc1
Structure:
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