Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 2
LigandBDBM335430
Substrate/Competitorn/a
Meas. Tech.BACE-2 Assay
Ki 0.350±n/a nM
Citation Walsh SPCumming JNHe STaoka BMTruong QTWu W C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use US Patent  US9732088 Publication Date 8/15/2017
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 2
Name:Beta-secretase 2
Synonyms:ASP1 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | 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:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGL
ALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAG
TPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATI
FESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVA
GSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKA
IVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISI
YLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFD
RAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCG
AILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM335430
n/a
NameBDBM335430
Synonyms:(3R,6S)-5-amino-3-(2-((3- bromo-1,7-naphthyridin-8- yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide | US9732088, Example 3
TypeSmall organic molecule
Emp. Form.C22H22BrFN6O2S
Mol. Mass.533.416
SMILESC[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Br)cnc23)ncc1F |r,c:13|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: