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Target
Beta-secretase 2
Ligand
BDBM50570459
Substrate
n/a
Meas. Tech.
ChEMBL_2112323 (CHEMBL4821173)
IC50
631±n/a nM
Citation
 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective ?-Secretase (BACE1) Inhibitors over BACE2. J Med Chem 64:3075-3085 (2021) [PubMed]  Article 
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:
BDBM50570459
Synonyms:
CHEMBL4864591
Type:
Small organic molecule
Emp. Form.:
C19H16F3N5O3
Mol. Mass.:
419.3572
SMILES:
CC#C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
Structure:
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