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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113325
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
29.8±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  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:
BDBM113325
Synonyms:
US10336717, Compound 493 | US8633212, 493 | US9212153, 493
Type:
Small organic molecule
Emp. Form.:
C22H33N3O2
Mol. Mass.:
371.5163
SMILES:
CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,c:24,(-8.73,-.16,;-7.39,-.93,;-6.06,-.16,;-4.73,-.93,;-3.39,-.16,;-2.06,-.93,;-2.06,-2.47,;-.72,-3.24,;.61,-2.47,;2.07,-2.95,;2.98,-1.7,;3.75,-.37,;5.29,-.37,;6.06,-1.7,;5.29,-3.04,;3.75,-3.04,;7.39,-2.47,;8.73,-1.7,;2.07,-.46,;3.32,.45,;2.84,1.91,;3.61,3.24,;1.3,1.91,;.53,3.24,;.83,.45,;.61,-.93,;-.72,-.16,)|
Structure:
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