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Target
Beta-secretase 1
Ligand
BDBM476670
Substrate
n/a
Meas. Tech.
Potency Activity Assay
IC50
87.0±n/a nM
Citation
 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R Compounds and their use as BACE1 inhibitors US Patent  US10870635 Publication Date 12/22/2020 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM476670
Synonyms:
(S)-6-(5,5-Dioxido-8-(prop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-2-imino-3,6- dimethyltetrahydropyrimidin-4(1H)-one | US10870635, Example 79
Type:
Small organic molecule
Emp. Form.:
C21H19N3O3S
Mol. Mass.:
393.459
SMILES:
CC#Cc1ccc2c(c1)-c1cc(ccc1S2(=O)=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Structure:
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