Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM47902
Substrate
n/a
Meas. Tech.
ChEMBL_1295316 (CHEMBL3130564)
IC50
310±n/a nM
Citation
 Kimble-Hill, ACParajuli, BChen, CHMochly-Rosen, DHurley, 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:
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:
BDBM47902
Synonyms:
1-[(2E)-3-phenylprop-2-enyl]-1H-indole-2,3-dione | 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione | 1-[(E)-cinnamyl]isatin | MLS001202142 | SMR000565059 | cid_2057118
Type:
Small organic molecule
Emp. Form.:
C17H13NO2
Mol. Mass.:
263.2906
SMILES:
O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
Structure:
Search PDB for entries with ligand similarity: