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Target
Beta-secretase 1
Ligand
BDBM50129297
Substrate
n/a
Meas. Tech.
ChEMBL_1523398 (CHEMBL3630425)
pH
5±n/a
Ki
25±n/a nM
Comments
extracted
Citation
 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Macrocyclic prolinyl acyl guanidines as inhibitors of฿-secretase (BACE). Bioorg Med Chem Lett 25:5040-7 (2015) [PubMed]  Article 
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:
BDBM50129297
Synonyms:
CHEMBL3628127
Type:
Small organic molecule
Emp. Form.:
C27H32Cl2N6O3
Mol. Mass.:
559.487
SMILES:
[H][C@@]12CCCN1c1ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,31|
Structure:
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