2P83

Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1

Summary for 2P83

• Entry DOI: 10.2210/pdb2p83/pdb
• Descriptor: Beta-secretase 1, PHOSPHATE ION, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE, ... (4 entities in total)
• Functional Keywords: protein-inhibitor complex, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 3
• Total formula weight: 152963.71

Authors

Benson, T.E.,Prince, D.B.,Tomasselli, A.G.,Emmons, T.L.,Paddock, D.J. (deposition date: 2007-03-21, release date: 2007-06-19, Last modification date: 2024-10-30)

Primary citation

Kortum, S.W.,Benson, T.E.,Bienkowski, M.J.,Emmons, T.L.,Prince, D.B.,Paddock, D.J.,Tomasselli, A.G.,Moon, J.B.,Laborde, A.,Tenbrink, R.E.
Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Bioorg.Med.Chem.Lett., 17:3378-3383, 2007

PubMed Abstract: The design and synthesis of a novel series of potent BACE1 hydroxyethylamine inhibitors. These inhibitors feature hydrogen bonding substituents at the C-5 position of the isophthalamide ring with improved selectivity over cathepsin D.

PubMed: 17434734
DOI: 10.1016/j.bmcl.2007.03.096

Experimental method

X-RAY DIFFRACTION (2.5 Å)