Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM50447076
Substrate
n/a
Meas. Tech.
ChEMBL_1289633 (CHEMBL3118331)
IC50
>50000±n/a nM
Citation
 Parajuli, BFishel, MLHurley, TD Selective ALDH3A1 inhibition by benzimidazole analogues increase mafosfamide sensitivity in cancer cells. J Med Chem 57:449-61 (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:
BDBM50447076
Synonyms:
CHEMBL3112679 | US9328112, A5
Type:
Small organic molecule
Emp. Form.:
C13H10N2O2S
Mol. Mass.:
258.296
SMILES:
O=S(=O)(c1ccccc1)n1cnc2ccccc12
Structure:
Search PDB for entries with ligand similarity: