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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113333
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
15.8±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:
BDBM113333
Synonyms:
US10336717, Compound 515 | US8633212, 501 | US8633212, 515 | US9212153, 515
Type:
Small organic molecule
Emp. Form.:
C23H33N3O2
Mol. Mass.:
383.527
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;4.37,.45,;3.26,-3.04,;4.8,-3.04,)|
Structure:
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