4I1C: Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors

Citation:
Abstract
Utilizing a structure based design approach, combined with extensive medicinal chemistry execution, highly selective, potent and novel BACE1 inhibitor 8 (BACE1 Alpha assay IC50=8nM) was made from a weak muM potency hit in an extremely efficient way. The detailed SAR and general design approaches will be discussed.
PDB ID: 4I1CDownload
MMDB ID: 108193
PDB Deposition Date: 2012/11/20
Updated in MMDB: 2013/07
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 4I1C: monomeric; determined by author
Molecular Components in 4I1C
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1(Gene symbol: BACE1)
Molecule annotation
Chemicals (4 molecules)
1
3
2
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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