Reaction Details Report a problem with these data
Target
Beta-secretase 2
Ligand
BDBM50012642
Substrate
n/a
Meas. Tech.
ChEMBL_1351639 (CHEMBL3269326)
IC50
11±n/a nM
Citation
 Oehlrich, D; Prokopcova, H; Gijsen, HJ The evolution of amidine-based brain penetrant BACE1 inhibitors. Bioorg Med Chem Lett 24:2033-45 (2014) [PubMed]  Article 
Target
Name:
Beta-secretase 2
Synonyms:
BACE2_RAT | Bace2 | Beta-site APP cleaving enzyme 2 | Beta-site amyloid precursor protein cleaving enzyme 2 | Memapsin-1 | Membrane-associated aspartic protease 1 | Theta-secretase
Type:
PROTEIN
Mol. Mass.:
55848.42
Organism:
Rattus norvegicus
Description:
ChEMBL_1351639
Residue:
514
Sequence:
MGALLRALLLPLLAQWLLRAVPVLAPAPFTLPLQVAGAANHRASTVPGLGTPELPRADGLALALEPARATANFLAMVDNLQGDSGRGYYLEMLIGTPPQKVRILVDTGSSNFAVAGAPHSYIDTYFDSESSSTYHSKGFEVTVKYTQGSWTGFVGEDLVTIPKGFNSSFLVNIATIFESENFFLPGIKWNGILGLAYAALAKPSSSLETFFDSLVAQAKIPDIFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARTSLIPEFSDGFWTGAQLACWTNSETPWAYFPKISIYLRDENASRSFRITILPQLYIQPMMGAGFNYECYRFGISSSTNALVIGATVMEGFYVVFDRAQRRVGFAVSPCAEIAGTTVSEISGPFSTEDIASNCVPAQALNEPILWIVSYALMSVCGAILLVLILLLLFPLHCRHAPRDPEVVNDESSLVRHRWK
  
Inhibitor
Name:
BDBM50012642
Synonyms:
CHEMBL2403778
Type:
Small organic molecule
Emp. Form.:
C18H18ClFN4O2
Mol. Mass.:
376.813
SMILES:
C[C@]1(COCCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7|
Structure:
Search PDB for entries with ligand similarity: