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TargetBeta-secretase 1
LigandBDBM136870
Substrate/Competitorn/a
Meas. Tech.TR-FRET Assay
pH9.2±n/a
IC50 21±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:
BDBM136870
NameBDBM136870
Synonyms:US10231967, Example 107 | US8865911, 107
TypeSmall organic molecule
Emp. Form.C24H23F5N4O
Mol. Mass.478.4576
SMILESCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F |r,wD:14.15,17.23,c:4,t:1,(-.06,3.81,;.71,2.47,;.24,1.01,;1.48,.1,;2.73,1.01,;2.25,2.47,;3.02,3.81,;.02,-.37,;-1.32,.4,;-2.65,-.37,;-2.65,-1.91,;-1.32,-2.68,;.02,-1.91,;1.48,-2.39,;2.39,-1.14,;3.16,.19,;4.7,.19,;5.47,-1.14,;4.7,-2.47,;3.16,-2.47,;7.01,-1.14,;7.78,-2.47,;9.32,-2.47,;7.01,-3.81,;-3.98,.4,;-3.98,1.94,;-5.32,2.71,;-6.65,1.94,;-6.65,.4,;-5.32,-.37,;-7.98,-.37,;-9.32,.4,;-8.75,.96,;-7.98,-1.91,)|
Structure
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