Target
Beta-secretase 2
Ligand
BDBM50231691
Substrate
n/a
Meas. Tech.
ChEMBL_462058 (CHEMBL945832)
IC50
41770±n/a nM
Citation
 Clarke, BDemont, EDingwall, CDunsdon, RFaller, AHawkins, JHussain, IMacPherson, DMaile, GMatico, RMilner, PMosley, JNaylor, AO'Brien, ARedshaw, SRiddell, DRowland, PSoleil, VSmith, KJStanway, SStemp, GSweitzer, STheobald, PVesey, DWalter, DSWard, JWayne, G BACE-1 inhibitors part 2: identification of hydroxy ethylamines (HEAs) with reduced peptidic character. Bioorg Med Chem Lett 18:1017-21 (2008) [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:
BDBM50231691
Synonyms:
CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(methylsulfonyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C27H37N3O5S
Mol. Mass.:
515.665
SMILES:
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: