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TargetBeta-secretase 1 (BACE)
LigandBDBM113277
Substrate/Competitorn/a
Meas. Tech.Enzyme Assay
pH4.5±n/a
Temperature298.15±n/a K
IC50 670.4±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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM113277
NameBDBM113277
Synonyms:US8633212, 55 | US9212153, 55
TypeSmall organic molecule
Emp. Form.C24H29N3O2
Mol. Mass.391.506
SMILESCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1 |r,wD:5.5,2.1,c:22,(8.5,-4.47,;6.96,-4.47,;6.19,-3.14,;4.65,-2.35,;3.73,-.89,;2.08,-1.4,;1.17,-2.64,;-.29,-2.17,;-1.63,-2.94,;-2.96,-2.17,;-2.96,-.63,;-1.63,.14,;-.29,-.63,;1.17,-.15,;2.51,.62,;2.51,2.16,;3.84,2.93,;1.17,2.93,;1.17,4.47,;-.16,2.16,;-1.5,2.93,;-.16,.62,;-4.29,.14,;-5.63,.91,;-6.96,1.68,;-7.73,3.02,;-8.5,1.68,;3.62,-2.18,;4.54,-3.64,)|
Structure
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