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Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM62170
Substrate
n/a
Meas. Tech.
ChEMBL_1289633 (CHEMBL3118331)
IC50
1200±n/a nM
Citation
 Parajuli, B; Fishel, ML; Hurley, 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:
BDBM62170
Synonyms:
1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine | MLS-0425609.0001 | US9328112, B36 | [1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]amine | cid_1088439
Type:
Small organic molecule
Emp. Form.:
C13H10ClN3O2S
Mol. Mass.:
307.755
SMILES:
Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: