Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase family 1 member A3
Ligand
BDBM50527782
Substrate
n/a
Meas. Tech.
ChEMBL_1903542 (CHEMBL4405764)
IC50
3500±n/a nM
Citation
 Quattrini, L; Gelardi, ELM; Coviello, V; Sartini, S; Ferraris, DM; Mori, M; Nakano, I; Garavaglia, S; La Motta, C Imidazo[1,2- J Med Chem 63:4603-4616 (2020) [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:
BDBM50527782
Synonyms:
CHEMBL4441577
Type:
Small organic molecule
Emp. Form.:
C22H20N2O3
Mol. Mass.:
360.4058
SMILES:
COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cc(OC)cc(OC)c1
Structure:
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