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TargetBeta-secretase 1 (BACE)
LigandBDBM113236
Substrate/Competitorn/a
Meas. Tech.Enzyme Assay
pH4.5±n/a
Temperature298.15±n/a K
IC50 11.1±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:
BDBM113236
NameBDBM113236
Synonyms:US8633212, 14
TypeSmall organic molecule
Emp. Form.C24H25ClFN3O2
Mol. Mass.441.926
SMILESCOC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(Cl)c2)CC1 |t:16,(8.63,-2.04,;7.15,-1.64,;5.66,-1.24,;4.17,-1.61,;3.07,-2.7,;1.74,-1.93,;.83,-3.17,;-.63,-2.7,;-1.97,-3.47,;-3.3,-2.7,;-3.3,-1.16,;-1.97,-.38,;-.63,-1.16,;.83,-.68,;-.41,.23,;.06,1.69,;-.71,3.02,;1.6,1.69,;2.37,3.02,;2.08,.23,;3.62,.23,;-4.63,-.39,;-4.63,1.15,;-5.97,1.93,;-5.97,3.47,;-7.3,1.15,;-7.3,-.39,;-8.63,-1.16,;-5.97,-1.16,;3.23,-1.61,;4.33,-.47,)|
Structure
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