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TargetBeta-secretase 1
LigandBDBM136830
Substrate/Competitorn/a
Meas. Tech.Diluted TR-FRET Assay
pH9.2±n/a
IC50 1.2±n/a nM
Commentsextracted
Citation Csjernyik, GKarlstrom, SKers, AKolmodin, KNylof, MOhberg, LRakos, LSandberg, LSehgelmeble, FSoderman, PSwahn, BVon Berg, S Compounds and their use as BACE inhibitors US Patent US8865911 Publication Date 10/21/2014
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase 1
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.:55755.10
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:
BDBM136830
NameBDBM136830
Synonyms:US10231967, Example 67 | US8865911, 67 | US8865911, 68 Isomer 1 | US9918985, Example 68 Isomer 2
TypeSmall organic molecule
Emp. Form.C27H30N4O
Mol. Mass.426.5533
SMILESCCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wD:15.16,18.24,c:5,t:2,(-2.16,1.48,;-.62,1.48,;.15,.15,;-.33,-1.31,;.92,-2.22,;2.16,-1.31,;1.69,.15,;2.46,1.48,;-.55,-2.7,;-1.88,-1.93,;-3.21,-2.7,;-3.21,-4.24,;-1.88,-5,;-.55,-4.24,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-4.8,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|
Structure
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