4PZX

Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors

Summary for 4PZX

Entry DOI	10.2210/pdb4pzx/pdb
Related	4PZW
Descriptor	Beta-secretase 1, NICKEL (II) ION, (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, ... (4 entities in total)
Functional Keywords	aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	45875.63
Authors	Vigers, G.P.A. (deposition date: 2014-03-31, release date: 2014-05-14, Last modification date: 2014-10-15)
Primary citation	Volgraf, M.,Chan, L.,Huestis, M.P.,Purkey, H.E.,Burkard, M.,Geck Do, M.,Harris, J.,Hunt, K.W.,Liu, X.,Lyssikatos, J.P.,Rana, S.,Thomas, A.A.,Vigers, G.P.,Siu, M. Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24:2477-2480, 2014 Cited by PubMed: 24780121 DOI: 10.1016/j.bmcl.2014.04.012 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation