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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113349
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
877.1±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:
BDBM113349
Synonyms:
US10336717, Compound 517 | US8633212, 517 | US9212153, 517
Type:
Small organic molecule
Emp. Form.:
C24H29N3O3
Mol. Mass.:
407.5054
SMILES:
COc1cccc(c1)-c1ccc2C[C@]3(CC[C@@](C)(O)CC3)C3(ON(C)C(N)=N3)c2c1 |r,wU:16.17,wD:13.13,16.18,c:28,(-8.06,-.16,;-6.73,-.93,;-5.39,-.16,;-5.39,1.38,;-4.06,2.15,;-2.72,1.38,;-2.72,-.16,;-4.06,-.93,;-1.39,-.93,;-1.39,-2.47,;-.06,-3.24,;1.28,-2.47,;2.74,-2.95,;3.65,-1.7,;4.42,-3.04,;5.96,-3.04,;6.73,-1.7,;8.06,-.93,;8.06,-2.47,;5.96,-.37,;4.42,-.37,;2.74,-.46,;3.99,.45,;3.51,1.91,;4.28,3.24,;1.97,1.91,;1.2,3.24,;1.49,.45,;1.28,-.93,;-.06,-.16,)|
Structure:
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