42
C4X Discovery
Free Ligand Conformational Populations in Solution –
A Powerful Drug Discovery Tool
A new dimension in drug discovery
Orexin Case Study
The NMR Based Technology
pIC50 Orexin 2
9
NOE; ROE;
RDC; 3J;
Δδ
4D-structure
‘Bioactive’- xRay
Major shapes - NMR
Complementing SBDD
Hit-to-Lead
September ‘12
December ‘12
April ‘13
July ‘13
8
7
6
Target
Area
5
5
6
7
8
pIC50 Orexin 1
9
Conformational Dynamics
Major Modes
Libration
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1
17th Cambridge Medicinal Chemistry Symposium – 2013