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TargetBeta-secretase 1 (BACE)
LigandBDBM113259
Substrate/Competitorn/a
Meas. Tech.Enzyme Assay
pH4.5±n/a
Temperature298.15±n/a K
IC50 125.6±n/a nM
Commentsextracted
Citation Cacatian, SClaremon, DADillard, LWFuchs, KHeine, NJia, LLeftheris, KMcKeever, BMorales-Ramos, ASingh, SBVenkatraman, SWu, GWu, ZXu, ZYuan, JZheng, Y Inhibitors of beta-secretase US Patent US8633212 Publication Date 1/21/2014
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1 (BACE)
Name:Beta-secretase 1 (BACE)
Synonyms:n/a
Type:Enzyme
Mol. Mass.:51006.30
Organism:Homo sapiens (Human)
Description:P56817
Residue:457
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQ
SEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYD
KSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVI
SLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYV
VFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAA
ICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK
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  Blast E-value cutoff:
BDBM113259
NameBDBM113259
Synonyms:US8633212, 37 | US9212153, 37
TypeSmall organic molecule
Emp. Form.C25H28N4O2
Mol. Mass.416.5154
SMILESCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1 |c:20,(8.25,.04,;6.76,.43,;5.67,-.66,;4.9,-1.99,;3.41,-1.57,;1.93,-1.99,;1.03,-3.23,;-.44,-2.76,;-1.77,-3.53,;-3.1,-2.76,;-3.1,-1.22,;-1.77,-.45,;-.44,-1.22,;1.03,-.74,;2.49,-.27,;2.49,1.27,;3.83,2.04,;1.03,1.75,;.26,3.08,;.12,.5,;-4.44,-.45,;-5.77,-1.22,;-7.11,-.45,;-7.11,1.09,;-8.25,2.12,;-7.62,3.53,;-6.09,3.37,;-5.77,1.86,;-4.44,1.09,;2.7,-.66,;4.19,-1.08,)|
Structure
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