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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113363
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
11±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:
BDBM113363
Synonyms:
US10336717, Compound 542 | US8633212, 542 | US9212153, 542
Type:
Small organic molecule
Emp. Form.:
C24H28N4O3
Mol. Mass.:
420.5041
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(N)=O)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.98,-3.26,;7.21,-1.93,;5.67,-1.93,;4.9,-.59,;3.36,-.59,;2.59,-1.93,;1.69,-3.17,;.22,-2.7,;-1.11,-3.47,;-2.44,-2.7,;-2.44,-1.16,;-1.11,-.39,;.22,-1.16,;1.69,-.68,;.44,.22,;.92,1.69,;.15,3.02,;2.46,1.69,;3.55,2.78,;5.04,2.38,;6.12,3.47,;5.43,.89,;2.93,.22,;4.47,.22,;-3.78,-.39,;-5.11,.38,;-6.44,1.15,;-7.21,2.49,;-7.98,1.15,;3.36,-3.26,;4.9,-3.26,)|
Structure:
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