4RRO
8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors
Summary for 4RRO
Entry DOI | 10.2210/pdb4rro/pdb |
Related | 4R5N 4RRN 4RRS |
Descriptor | Beta-secretase 1, NICKEL (II) ION, (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, ... (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 | 45900.23 |
Authors | Thomas, A.A.,Hunt, K.W.,Newhouse, B.,Watts, R.J.,Liu, X.,Vigers, G.P.A.,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. (deposition date: 2014-11-06, release date: 2014-12-03, Last modification date: 2014-12-31) |
Primary citation | Thomas, 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: 25411915DOI: 10.1021/jm5015132 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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