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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113346
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
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:
BDBM113346
Synonyms:
US10336717, Compound 514 | US8633212, 514 | US9212153, 514
Type:
Small organic molecule
Emp. Form.:
C24H35N3O2
Mol. Mass.:
397.5536
SMILES:
CCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:21.22,24.30,c:4,(4.93,2.6,;3.44,3,;2.36,1.91,;.82,1.91,;.05,3.24,;.34,.45,;1.59,-.46,;2.83,.45,;4.37,.45,;.12,-.93,;-1.21,-.16,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-2.55,-2.47,;-1.21,-3.24,;.12,-2.47,;1.59,-2.95,;2.49,-1.7,;3.26,-.37,;4.8,-.37,;5.57,-1.7,;4.8,-3.04,;3.26,-3.04,;7.11,-1.7,;7.88,-3.04,)|
Structure:
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