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4I12

Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors

Summary for 4I12
Entry DOI10.2210/pdb4i12/pdb
Related4HZI 4I0D 4I0E 4I0F 4I0G 4I0Z 4I10 4I1C
DescriptorBeta-secretase 1, 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, ZINC ION, ... (5 entities in total)
Functional Keywordsaspartic 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 weight46208.40
Authors
Lougheed, J.C.,Brecht, E.,Yao, N.H. (deposition date: 2012-11-19, release date: 2013-03-06, Last modification date: 2018-01-24)
Primary citationXu, Y.Z.,Yuan, S.,Bowers, S.,Hom, R.K.,Chan, W.,Sham, H.L.,Zhu, Y.L.,Beroza, P.,Pan, H.,Brecht, E.,Yao, N.,Lougheed, J.,Yan, J.,Tam, D.,Ren, Z.,Ruslim, L.,Bova, M.P.,Artis, D.R.
Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23:3075-3080, 2013
Cited by
PubMed: 23570791
DOI: 10.1016/j.bmcl.2013.03.009
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.78 Å)
Structure validation

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