5KQF
(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1
Summary for 5KQF
Entry DOI | 10.2210/pdb5kqf/pdb |
Related | 5KR8 |
Descriptor | Beta-secretase 1, (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (3 entities in total) |
Functional Keywords | bace-1, small molecule inhibitor, 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 | 50540.85 |
Authors | Lewis, H.A.,Wu, Y.J.,Rajamani, R.,Thompson, L.A. (deposition date: 2016-07-06, release date: 2016-09-07, Last modification date: 2016-10-05) |
Primary citation | Wu, Y.J.,Guernon, J.,Shi, J.,Marcin, L.,Higgins, M.,Rajamani, R.,Muckelbauer, J.,Lewis, H.,Chang, C.,Camac, D.,Toyn, J.H.,Ahlijanian, M.K.,Albright, C.F.,Macor, J.E.,Thompson, L.A. Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59:8593-8600, 2016 Cited by PubMed: 27559936DOI: 10.1021/acs.jmedchem.6b01012 PDB entries with the same primary citation |
Experimental method |
Structure validation
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