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TargetBeta-secretase 2
LigandBDBM16414
Substrate/CompetitorBACE Substrate Peptide
Meas. Tech.In Vitro BACE Activity Assay
pH4.5±n/a
Temperature295.15±n/a K
IC50 110±2.5 nM
Citation Stachel, SJCoburn, CASteele, TGJones, KGLoutzenhiser, EFGregro, ARRajapakse, HALai, MTCrouthamel, MCXu, MTugusheva, KLineberger, JEPietrak, BLEspeseth, ASShi, XPChen-Dodson, EHolloway, MKMunshi, SSimon, AJKuo, LVacca, JP Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1). J Med Chem47:6447-50 (2004) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Beta-secretase 2
Name:Beta-secretase 2
Synonyms:ASP1 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | Beta secretase 2 | Beta-secretase 2 (BACE-2) | Beta-secretase 2 precursor | Beta-site APP-cleaving enzyme 2 | Down region aspartic protease | Memapsin-1 | Membrane-associated aspartic protease 1 | beta-Secretase (BACE-2)
Type:Protein
Mol. Mass.:56171.20
Organism:Homo sapiens (Human)
Description:Q9Y5Z0
Residue:518
Sequence:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGL
ALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAG
TPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATI
FESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVA
GSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKA
IVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISI
YLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFD
RAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCG
AILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM16414
NameBDBM16414
Synonyms:1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[(dimethylsulfamoyl)(methyl)amino]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | hydroxyethylamine containing compound 15
TypeSmall organic molecule
Emp. Form.C32H41N5O5S
Mol. Mass.607.763
SMILESC[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(=O)(=O)N(C)C)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BACE Substrate Peptide
Name:BACE Substrate Peptide
Synonyms:BACE-1 Substrate Peptide
Type:Peptide
Mol. Mass.:1557.77
Organism:n/a
Description:It is a coumarin (CM)-labeled peptide containing an optimized cleavage sequence NFEV.
Residue:12
Sequence:
CM-REVNFEVEFR