Reaction Details Report a problem with these data
Target
Beta-secretase 2
Ligand
BDBM476688
Substrate
n/a
Meas. Tech.
Activity Assay
IC50
12.0±n/a nM
Citation
 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R Compounds and their use as BACE1 inhibitors US Patent  US10870635 Publication Date 12/22/2020 
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:
BDBM476688
Synonyms:
(R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)dibenzo[b,d]thiophen- 2-yl)thiomorpholine 1,1-dioxide | US10870635, Example 103
Type:
Small organic molecule
Emp. Form.:
C22H22N2O2S2
Mol. Mass.:
410.552
SMILES:
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Structure:
Search PDB for entries with ligand similarity: