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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113345
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
9±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:
BDBM113345
Synonyms:
US10336717, Compound 513 | US8633212, 513 | US9212153, 513
Type:
Small organic molecule
Emp. Form.:
C25H37N3O3
Mol. Mass.:
427.5796
SMILES:
COCCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:23.24,26.32,c:6,(7.51,3.07,;6.02,3.47,;4.93,2.38,;3.44,2.78,;2.36,1.69,;.82,1.69,;.05,3.02,;.34,.22,;1.59,-.68,;2.83,.22,;4.37,.22,;.12,-1.16,;-1.21,-.39,;-2.55,-1.16,;-3.88,-.39,;-5.21,-1.16,;-6.55,-.39,;-7.88,-1.16,;-6.55,1.15,;-2.55,-2.7,;-1.21,-3.47,;.12,-2.7,;1.59,-3.17,;2.49,-1.93,;3.26,-.59,;4.8,-.59,;5.57,-1.93,;4.8,-3.26,;3.26,-3.26,;7.11,-1.93,;7.88,-3.26,)|
Structure:
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