Reaction Details Report a problem with these data
Target
Beta-secretase 2
Ligand
BDBM16413
Substrate
BACE Substrate Peptide
Meas. Tech.
In Vitro BACE Activity Assay
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
360±35 nM
Citation
 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1). J Med Chem 47:6447-50 (2004) [PubMed]  Article 
Target
Name:
Beta-secretase 2
Synonyms:
AEPLC | ALP56 | ASP1 | ASP21 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | BACE2 | BACE2_HUMAN | Beta secretase 2 | Beta-secretase (BACE) | 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:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
  
Inhibitor
Name:
BDBM16413
Synonyms:
1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylpropane-2-sulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | hydroxyethylamine containing compound 14
Type:
Small organic molecule
Emp. Form.:
C33H42N4O5S
Mol. Mass.:
606.775
SMILES:
CC(C)S(=O)(=O)N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
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:
CMREVNFEVEFR