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Target
Beta-secretase 1
Ligand
BDBM16800
Substrate
MBPAPPC125
Meas. Tech.
BACE Enzyme Inhibition Assay
pH
4.8±n/a
Temperature
310.15±n/a K
IC50
7500±n/a nM
Citation
 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Design and synthesis of hydroxyethylene-based peptidomimetic inhibitors of human beta-secretase. J Med Chem 47:158-64 (2004) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | 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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM16800
Synonyms:
(4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4-[(2S)-2-[(2S,4S,5S)-4-hydroxy-5-[2-hydroxy-2-(naphthalen-1-yl)acetamido]-7-methyl-2-(propan-2-yl)octanamido]propanamido]butanoic acid | hydroxyethylene BACE inhibitor 3
Type:
Small organic molecule
Emp. Form.:
C41H54N4O10
Mol. Mass.:
762.8883
SMILES:
CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)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:
MBPAPPC125
Synonyms:
A4 | A4_HUMAN | AD1 | APP | MBP-C125
Type:
Other Protein Type
Mol. Mass.:
13932.72
Organism:
Homo sapiens (Human)
Description:
It is the fusion protein containing the maltose-binding protein at the N-terminal end connected to the carboxyl-terminal 125 amino acids of APP (amyloid precursor protein).
Residue:
125
Sequence:
ADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN