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Target
Beta-secretase 1
Ligand
BDBM113329
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
144±n/a nM
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  US10336717 Publication Date 7/2/2019 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM113329
Synonyms:
US10336717, Compound 497 | US8633212, 497 | US9212153, 497
Type:
Small organic molecule
Emp. Form.:
C20H29N3O2
Mol. Mass.:
343.4632
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C(C)C)CC1 |r,wD:5.5,2.1,c:20,(6.73,-1.7,;5.39,-2.47,;4.06,-1.7,;3.29,-.37,;1.75,-.37,;.98,-1.7,;.07,-2.95,;-1.39,-2.47,;-2.72,-3.24,;-4.06,-2.47,;-4.06,-.93,;-2.72,-.16,;-1.39,-.93,;.07,-.46,;1.32,.45,;.84,1.91,;1.61,3.24,;-.7,1.91,;-1.47,3.24,;-1.17,.45,;-5.39,-.16,;-6.73,-.93,;-5.39,1.38,;1.75,-3.04,;3.29,-3.04,)|
Structure:
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