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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113366
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
9.4±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:
BDBM113366
Synonyms:
US10336717, Compound 545 | US8633212, 545 | US9212153, 545
Type:
Small organic molecule
Emp. Form.:
C26H29N5O2S
Mol. Mass.:
475.606
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3nnc(C)s3)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.74,-3.81,;6.97,-2.47,;5.43,-2.47,;4.66,-1.14,;3.12,-1.14,;2.35,-2.47,;1.44,-3.72,;-.02,-3.24,;-1.35,-4.01,;-2.69,-3.24,;-2.69,-1.7,;-1.35,-.93,;-.02,-1.7,;1.44,-1.23,;.2,-.32,;.67,1.14,;-.1,2.47,;2.21,1.14,;2.98,2.47,;4.52,2.47,;5.43,1.23,;6.89,1.7,;6.89,3.24,;8.23,4.01,;5.43,3.72,;2.69,-.32,;4.23,-.32,;-4.02,-.93,;-5.35,-.16,;-6.69,.61,;-7.46,1.94,;-8.23,.61,;3.12,-3.81,;4.66,-3.81,)|
Structure:
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