3IVH

Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents

Summary for 3IVH

• Entry DOI: 10.2210/pdb3ivh/pdb
• Descriptor: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide (3 entities in total)
• Functional Keywords: aspartyl protease, bace-1 inhibitors, alzheimer's disease, structure-based drug design, disulfide bond, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 45917.73

Authors

Pan, H. (deposition date: 2009-09-01, release date: 2010-01-05, Last modification date: 2011-07-13)

• Primary citation: Sealy, J.M.,Truong, A.P.,Tso, L.,Probst, G.D.,Aquino, J.,Hom, R.K.,Jagodzinska, B.M.,Dressen, D.,Wone, D.W.,Brogley, L.,John, V.,Tung, J.S.,Pleiss, M.A.,Tucker, J.A.,Konradi, A.W.,Dappen, M.S.,Toth, G.,Pan, H.,Ruslim, L.,Miller, J.,Bova, M.P.,Sinha, S.,Quinn, K.P.,Sauer, J.M.; Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.; Bioorg.Med.Chem.Lett., 19:6386-6391, 2009; PubMed: 19811916; DOI: 10.1016/j.bmcl.2009.09.061

Experimental method

X-RAY DIFFRACTION (1.8 Å)