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: 2017-10-18)
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 Cited by PubMed: 17434734 DOI: 10.1016/j.bmcl.2007.03.096 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation