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 | |
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 Cited by PubMed: 19811916DOI: 10.1016/j.bmcl.2009.09.061 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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