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Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM50448790
Substrate
n/a
Meas. Tech.
ChEMBL_1295316 (CHEMBL3130564)
IC50
360±n/a nM
Citation
 Kimble-Hill, AC; Parajuli, B; Chen, CH; Mochly-Rosen, D; Hurley, TD Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J Med Chem 57:714-22 (2014) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase, dimeric NADP-preferring
Synonyms:
Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | AL3A1_HUMAN | ALDH3A1 | ALDH3 | Aldehyde dehydrogenase 3A1 (ALDH3A1)
Type:
Protein
Mol. Mass.:
50394.38
Organism:
Human
Description:
n/a
Residue:
453
Sequence:
MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
  
Inhibitor
Name:
BDBM50448790
Synonyms:
CHEMBL3128208
Type:
Small organic molecule
Emp. Form.:
C9H6BrNO2
Mol. Mass.:
240.05
SMILES:
Cc1cc2c(c(c1)Br)NC(=O)C2=O
Structure:
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