Brand  (β version)

PDB ID: 3QI1

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Ligands
Code Name Style Show Link
C6A N-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide PoSSuM
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Structure summary

Code : 3QI1   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors
Release Data : 2012-03-28
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2
ec: 3.4.23.46
fragment: UNP residues 57-453
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BACE, BACE1, KIAA1149
Authors : Yao, N.
Keywords : Aspartate Protease, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.30 Å )
Citation :

Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.

Ng, R.A.,Sun, M.,Bowers, S.  et al.
(2013)  Bioorg.Med.Chem.Lett.  23 : 4674 - 4679

PubMed: 23856050
DOI: 10.1016/j.bmcl.2013.06.006

Reaction

Chain : A
UniProt : P56817 (BACE1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Broad endopeptidase specificity. Cleaves Glu-Val-Asn-Leu-|- Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein. 3.4.23.46 PubMed:10677483
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