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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113233
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
7.8±n/a nM
Comments
extracted
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:
BDBM113233
Synonyms:
US10336717, Compound 11 | US8633212, 11
Type:
Small organic molecule
Emp. Form.:
C25H26F3N3O3
Mol. Mass.:
473.4874
SMILES:
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC(F)(F)F)c2)CC1 |t:16,(7.97,-2.7,;6.48,-2.3,;4.99,-1.91,;3.5,-2.28,;2.4,-3.36,;1.07,-2.59,;.17,-3.84,;-1.3,-3.36,;-2.63,-4.13,;-3.97,-3.36,;-3.97,-1.82,;-2.63,-1.05,;-1.3,-1.82,;.17,-1.35,;-.74,-.1,;.17,1.15,;-.6,2.48,;1.63,.67,;2.96,1.44,;1.63,-.87,;3.17,-.87,;-5.3,-1.05,;-6.63,-1.82,;-7.97,-1.05,;-7.97,.49,;-6.63,1.26,;-6.63,2.8,;-5.09,2.8,;-4.32,4.13,;-4.32,1.46,;-3.55,2.8,;-5.3,.49,;2.56,-2.28,;3.66,-1.14,)|
Structure:
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