Target
Beta-secretase 2
Ligand
BDBM705786
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic BACE1 and BACE2 FRET Assays
IC50
1.01±n/a nM
Citation
 ALLEN, JRAMEGADZIE, ABOURBEAU, MPBROWN, JACHEN, JJCHENG, YFROHN, MJGUZMAN-PEREZ, AHARRINGTON, PELIU, LLIU, QLOW, JDMA, VVMANNING, JMINATTI, AENGUYEN, TTNISHIMURA, NNORMAN, MHPETTUS, LHPICKRELL, AJQIAN, WRUMFELT, SRZASA, RMSIEGMUND, ACSTEC, MMWHITE, RDXUE, Q Cyclopropyl Fused Thiazin-2-Amine Compounds as Beta-Secretase Inhibitors and Methods of Use US Patent  US20160046618 Publication Date 2/18/2016 
Target
Name:
Beta-secretase 2
Synonyms:
Beta-secretase 2 | Beta-secretase (BACE) | 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) | BACE2_HUMAN | BACE2 | AEPLC | ALP56 | ASP21
Type:
Protein
Mol. Mass.:
56171.20
Organism:
Human
Description:
Q9Y5Z0
Residue:
518
Sequence:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
  
Inhibitor
Name:
BDBM705786
Synonyms:
US20160046618, Example 912
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N(C)C)C[C@H]54)c3)nccc2n1
Structure:
Search PDB for entries with ligand similarity: