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Target
Beta-secretase 1 [1-453]
Ligand
BDBM16047
Substrate
BACE Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
0.6±n/a nM
Citation
 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. J Med Chem 48:5175-90 (2005) [PubMed]  Article 
Target
Name:
Beta-secretase 1 [1-453]
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | 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)
Type:
Enzyme
Mol. Mass.:
50193.81
Organism:
Homo sapiens (Human)
Description:
Recombinant human BACE (SwissProt accession number P56817, amino acids 1-453 + a thrombin-cleavable C-kappa tag) was produced in-house using Sf9 insect cells.
Residue:
453
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES
  
Inhibitor
Name:
BDBM16047
Synonyms:
(4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid | CHEMBL78946 | EVNXXAEF | N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine | OM99-2
Type:
polypeptide
Emp. Form.:
C41H64N8O14
Mol. Mass.:
892.9921
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1917.56
Organism:
n/a
Description:
Peptide substrates were obtained from Bachem (Bubendorf, Switzerland).
Residue:
17
Sequence:
MCASEVNLDAEFKDNPH