Fragment-based screening is now well-established as a powerful approach to early drug ("lead") discovery.
This library was designed by the Nelson and Marsden groups (University of Leeds) to allow the efficient exploration of chemical space. Fragments in this library have the following features:
These fragments were prepared by a concise 'top down' synthetic approach (see references below) and have proven to be productive in the identification of distinctive hits at Diamond.
Please contact Prof. Adam Nelson ahead of the screen if you would like to use this library, detailing yourproject and the target involved.
SMILES: click to download the Leeds 3D SMILES
"Realisation of small molecule libraries based on frameworks distantly related to natural products" A. Aimon, G. Karageorgis, J. Masters, M. Dow, P. G. E. Craven, M. Ohsten, A. Willaume, R. Morgentin, N. R. -L., H. Lemoine, T. Kalliokoski, A. J. Eatherton, D. J. Foley, S. P. Marsden and A. Nelson, Org. Biomol. Chem. 2018, 16, 3160-3167 (link)
"Synthesis and Demonstration of the Biological Relevance of sp3‐rich Scaffolds Distantly Related to Natural Product Frameworks" D. J. Foley, P. G. E. Craven, P. M. Collins, R. G. Doveston, A. Aimon, R. Talon, I. Churcher, F. von Delft, S. P. Marsden, A. Nelson, Chem. Eur. J. 2017, 23, 15227-15232 (pdf)
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