Target
Beta-secretase 1
Ligand
BDBM50129279
Substrate
n/a
Meas. Tech.
ChEMBL_1523398 (CHEMBL3630425)
pH
5±n/a
Ki
3100±n/a nM
Comments
extracted
Citation
 Boy, KMGuernon, JMWu, YJZhang, YShi, JZhai, WZhu, SGerritz, SWToyn, JHMeredith, JEBarten, DMBurton, CRAlbright, CFGood, ACGrace, JELentz, KAOlson, REMacor, JEThompson, 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:
BDBM50129279
Synonyms:
CHEMBL3627959
Type:
Small organic molecule
Emp. Form.:
C21H23Cl2N5O2
Mol. Mass.:
448.346
SMILES:
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@H]2CCCN2c2ccccc2)cc1Cl |r|
Structure:
Search PDB for entries with ligand similarity: