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4RRS

8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors

Summary for 4RRS
Entry DOI10.2210/pdb4rrs/pdb
Related4R5N 4RRN 4RRO
DescriptorBeta-secretase 1, NICKEL (II) ION, (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, ... (4 entities in total)
Functional Keywordsaspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight45873.20
Authors
Primary citationThomas, A.A.,Hunt, K.W.,Newhouse, B.,Watts, R.J.,Liu, X.,Vigers, G.,Smith, D.,Rhodes, S.P.,Brown, K.D.,Otten, J.N.,Burkard, M.,Cox, A.A.,Geck Do, M.K.,Dutcher, D.,Rana, S.,DeLisle, R.K.,Regal, K.,Wright, A.D.,Groneberg, R.,Liao, J.,Scearce-Levie, K.,Siu, M.,Purkey, H.E.,Lyssikatos, J.P.
8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57:10112-10129, 2014
Cited by
PubMed: 25411915
DOI: 10.1021/jm5015132
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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