Target
Beta-secretase 1
Ligand
BDBM16779
Substrate
Fluorogenic Substrate
Meas. Tech.
Enzyme Inhibition Measurements
pH
4.5±n/a
Temperature
310.15±n/a K
Ki
9.4±n/a nM
Citation
 Ghosh, AKBilcer, GHarwood, CKawahama, RShin, DHussain, KAHong, LLoy, JANguyen, CKoelsch, GErmolieff, JTang, J Structure-based design: potent inhibitors of human brain memapsin 2 (beta-secretase). J Med Chem 44:2865-8 (2001) [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:
BDBM16779
Synonyms:
Substrate-based BACE-1 inhibitor, 18 | tert-butyl N-[(1S)-1-{[(1R)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamoyl}-2-methylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C36H61N5O9S
Mol. Mass.:
739.963
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorogenic Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4212.11
Organism:
n/a
Description:
n/a
Residue:
42
Sequence:
ARGGLEDANSGLVALASNLEASPALAGLPHELYSDACYLARG