Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase family 1 member A3
Ligand
BDBM69358
Substrate
n/a
Meas. Tech.
ChEMBL_2164374 (CHEMBL5049235)
IC50
270±n/a nM
Citation
 Ibrahim, AIM; Batlle, E; Sneha, S; Jiménez, R; Pequerul, R; Parés, X; Rüngeler, T; Jha, V; Tuccinardi, T; Sadiq, M; Frame, F; Maitland, NJ; Farrés, J; Pors, K Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. J Med Chem 65:3833-3848 (2022) [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:
BDBM69358
Synonyms:
3-nitro-4-(1-pyrrolidinyl)benzaldehyde | 3-nitro-4-pyrrolidin-1-yl-benzaldehyde | 3-nitro-4-pyrrolidin-1-ylbenzaldehyde | 3-nitro-4-pyrrolidino-benzaldehyde | MLS001005465 | SMR000383989 | cid_599518
Type:
Small organic molecule
Emp. Form.:
C11H12N2O3
Mol. Mass.:
220.2246
SMILES:
[O-][N+](=O)c1cc(C=O)ccc1N1CCCC1
Structure:
Search PDB for entries with ligand similarity: