8T0N

Structure of Compound 4 bound to human ALDH1A1

Summary for 8T0N

• Entry DOI: 10.2210/pdb8t0n/pdb
• Descriptor: Aldehyde dehydrogenase 1A1, YTTERBIUM (III) ION, 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol, ... (6 entities in total)
• Functional Keywords: inhibitor complex, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 56253.93

Authors

Hurley, T.D. (deposition date: 2023-06-01, release date: 2024-05-01)

• Primary citation: Takahashi, C.,Chtcherbinine, M.,Huddle, B.C.,Wilson, M.W.,Emmel, T.,Hohlman, R.M.,McGonigal, S.,Buckanovich, R.J.,Larsen, S.D.,Hurley, T.D.; Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes.; Chem.Biol.Interact., 391:110910-110910, 2024; PubMed: 38364885; DOI: 10.1016/j.cbi.2024.110910

Experimental method

X-RAY DIFFRACTION (1.86 Å)