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TargetBeta-secretase 1 [1-458]
LigandBDBM195521
Substrate/Competitorn/a
Meas. Tech.BACE Enzyme Assay (Ex.435)
pH4.4±n/a
IC50 1.7±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 US9212153 Publication Date 12/15/2015
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1 [1-458]
Name:Beta-secretase 1 [1-458]
Synonyms:BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (aa 1-458) | KIAA1149
Type:n/a
Mol. Mass.:50753.53
Organism:Homo sapiens (Human)
Description:Truncation 1-458 aa with His-tag at C-terminus
Residue:458
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTI
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  Blast E-value cutoff:
BDBM195521
n/a
NameBDBM195521
Synonyms:US9212153, 334,Ex. 282
TypeSmall organic molecule
Emp. Form.C27H33N3O3
Mol. Mass.447.5692
SMILESCOC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCCO3)C2=O)C#CC2CC2)CC1 |r,wU:19.20,wD:13.15,t:16,(5.04,19.3,;3.5,19.3,;2.73,20.63,;1.4,19.86,;.3,21,;-1.19,21.32,;-2.1,20.07,;-3.56,20.55,;-4.9,19.78,;-6.23,20.55,;-6.23,22.09,;-4.9,22.86,;-3.56,22.09,;-2.1,22.56,;-3,23.81,;-2.1,25.05,;-2.5,26.54,;-.63,24.58,;.7,25.35,;2.03,24.58,;2.03,23.04,;3.5,22.56,;4.4,23.81,;3.5,25.05,;-.63,23.04,;.85,22.42,;-7.56,22.86,;-8.9,23.63,;-10.23,24.4,;-11.77,24.4,;-11,25.73,;.14,22.09,;1.24,21,)|
Structure
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