Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM109229
Substrate
n/a
Meas. Tech.
IC50 Determination
IC50
2.56e+4± 2.3e+3 nM
Citation
 Parajuli, B; Georgiadis, TM; Fishel, ML; Hurley, TD Development of Selective Inhibitors for Human Aldehyde Dehydrogenase 3A1 (ALDH3A1) for the Enhancement of Cyclophosphamide Cytotoxicity. Chembiochem 15:701-712 (2014) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase, dimeric NADP-preferring
Synonyms:
AL3A1_HUMAN | ALDH3 | ALDH3A1 | Aldehyde dehydrogenase 3A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A)
Type:
Protein
Mol. Mass.:
50394.38
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
453
Sequence:
MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
  
Inhibitor
Name:
BDBM109229
Synonyms:
CB29 (derivative 19)
Type:
Small organic molecule
Emp. Form.:
C22H29N5O5S
Mol. Mass.:
475.561
SMILES:
CC(C)NS(=O)(=O)c1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: