4N00
Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS
Summary for 4N00
Entry DOI | 10.2210/pdb4n00/pdb |
Related | 4JP9 |
Descriptor | Beta-secretase 1, NICKEL (II) ION, (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-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 | 45886.20 |
Authors | Vigers, G.P.A.,Smith, D. (deposition date: 2013-09-30, release date: 2014-05-14, Last modification date: 2023-09-20) |
Primary citation | Thomas, A.A.,Hunt, K.W.,Volgraf, M.,Watts, R.J.,Liu, X.,Vigers, G.,Smith, D.,Sammond, D.,Tang, T.P.,Rhodes, S.P.,Metcalf, A.T.,Brown, K.D.,Otten, J.N.,Burkard, M.,Cox, A.A.,Do, M.K.,Dutcher, D.,Rana, S.,DeLisle, R.K.,Regal, K.,Wright, A.D.,Groneberg, R.,Scearce-Levie, K.,Siu, M.,Purkey, H.E.,Lyssikatos, J.P.,Gunawardana, I.W. Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system. J.Med.Chem., 57:878-902, 2014 Cited by PubMed: 24397738DOI: 10.1021/jm401635n PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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