Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 1
LigandBDBM50169365
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1577901
IC50 2.3±n/a nM
Citation Wu YJGuernon JYang FSnyder LShi JMcclure ARajamani RPark HNg ALewis HChang CCamac DToyn JHAhlijanian MKAlbright CFMacor JEThompson LA Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain Aß Reduction in Rodents. ACS Med Chem Lett 7:271-6 (2016) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase (BACE)
Synonyms:ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | 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.:55701.04
Organism:Homo sapiens (Human)
Description:P56817
Residue:501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50169365
n/a
NameBDBM50169365
Synonyms:CHEMBL3806215
TypeSmall organic molecule
Emp. Form.C22H21ClFN5O2S
Mol. Mass.473.951
SMILESCc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:12|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: