Reaction Details Report a problem with these data
Target
Beta-secretase 2
Ligand
BDBM477898
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic FRET (Fluorescence Resonance Energy Transfer) Assays
IC50
6040±n/a nM
Citation
 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Cyclopropyl fused thiazine derivatives as beta-secretase inhibitors and methods of use US Patent  US10889581 Publication Date 1/12/2021 
Target
Name:
Beta-secretase 2
Synonyms:
AEPLC | ALP56 | ASP1 | ASP21 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | BACE2 | BACE2_HUMAN | Beta secretase 2 | Beta-secretase (BACE) | Beta-secretase 2 | Beta-secretase 2 (BACE-2) | Beta-secretase 2 precursor | Beta-site APP-cleaving enzyme 2 | Down region aspartic protease | Memapsin-1 | Membrane-associated aspartic protease 1 | beta-Secretase (BACE-2)
Type:
Protein
Mol. Mass.:
56171.20
Organism:
Homo sapiens (Human)
Description:
Q9Y5Z0
Residue:
518
Sequence:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
  
Inhibitor
Name:
BDBM477898
Synonyms:
6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile | US10889581, Example 101
Type:
Small organic molecule
Emp. Form.:
C21H15F3N4S
Mol. Mass.:
412.431
SMILES:
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
Structure:
Search PDB for entries with ligand similarity: