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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113330
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
27.1±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:
BDBM113330
Synonyms:
US10336717, Compound 498 | US8633212, 498 | US9212153, 498
Type:
Small organic molecule
Emp. Form.:
C25H37N3O2
Mol. Mass.:
411.5802
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.66,;7.11,-2.33,;5.57,-2.33,;4.8,-.99,;3.26,-.99,;2.49,-2.33,;1.59,-3.57,;.12,-3.1,;-1.21,-3.87,;-2.55,-3.1,;-2.55,-1.56,;-3.88,-.79,;-5.21,-1.56,;-6.55,-.79,;-7.88,-1.56,;-6.55,.75,;-1.21,-.79,;.12,-1.56,;1.59,-1.08,;.34,-.18,;.82,1.29,;.05,2.62,;2.36,1.29,;3.44,2.38,;4.93,1.98,;3.05,3.87,;2.83,-.18,;4.37,-.18,;3.26,-3.66,;4.8,-3.66,)|
Structure:
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