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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113225
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
4.5±n/a nM
Comments
extracted
Citation
 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent  US8633212 Publication Date 1/21/2014 
Target
Name:
Isoform C of Beta-secretase 1 (BACE-I-457)
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE) | Beta-secretase 1 (BACE-I-457) | KIAA1149
Type:
Enzyme
Mol. Mass.:
51006.30
Organism:
Homo sapiens (Human)
Description:
P56817-3
Residue:
457
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM113225
Synonyms:
US10336717, Compound 3 | US8633212, 3
Type:
Small organic molecule
Emp. Form.:
C22H27N3O2
Mol. Mass.:
365.4687
SMILES:
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 |c:20,(8.43,-2.77,;6.89,-2.77,;6.12,-1.44,;5.03,-2.53,;3.69,-1.77,;2.15,-1.77,;1.25,-3.01,;-.22,-2.54,;-1.55,-3.31,;-2.89,-2.54,;-2.89,-1,;-1.55,-.23,;-.22,-1,;1.25,-.52,;2.15,.73,;1.25,1.97,;2.02,3.31,;-.22,1.5,;-1.55,2.27,;-.22,-.04,;-4.22,-.23,;-5.55,.54,;-6.89,1.31,;-7.66,2.65,;-8.43,1.31,;3.24,-.68,;4.58,-1.44,)|
Structure:
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