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Target
Beta-secretase 1
Ligand
BDBM50494391
Substrate
n/a
Meas. Tech.
ChEMBL_1276053 (CHEMBL3088976)
IC50
7500±n/a nM
Citation
 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S A stereoselective approach to peptidomimetic BACE1 inhibitors. Eur J Med Chem 70:233-47 (2013) [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:
BDBM50494391
Synonyms:
CHEMBL3086250
Type:
Small organic molecule
Emp. Form.:
C33H35N3O5
Mol. Mass.:
553.6481
SMILES:
OC[C@H](Cc1ccccc1)NC[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
Structure:
Search PDB for entries with ligand similarity: