Fragment-based screening is now well-established as a powerful approach to early drug ("lead") discovery.
We have several fragment libraries, totalling over 3000 compounds . All are available in d6-DMSO at 100-500 mM concentrations, whilst some are also offered in ethylene glycol (EG), typically at 100 mM. Each library is prepared in an ECHO-compatible source plates ready for rapid crystal soaking experiments.
|Library||Description||# of cpds||conc. in DMSO (mM)||conc. in EG (mM)||Available to Industry?||Contact person for follow-ups|
|DSiP||Poised reaction for quick follow-ups||768||500||100||yes||XChem|
|EUbOPEN- DSIP extended||Poised saturated heterocycles||108||500||100||TBC||Adam Nelson|
|EU-OPENSCREEN||Possibility of follow-ups through EU-OPENSCREEN||968||100||-||TBC||EU-OPENSCREEN consortium|
|SpotXplorer||Pharmacophore and binding hot spots||96||varied||-||TBC||György M Keserű|
|FragLites||Halogenated fragments||31||500||100||yes||Mike Waring and Martin Noble|
|PepLites||Halogenated peptidomimetics||25||500||100||TBC||Mike Waring and Martin Noble|
|Cambridge 3D||3D and poised||137||250-500||-||TBC||David Spring|
|York 3D||3D, substituted aliphatic heterocycle||106||500||100||yes||Peter O’Brien|
|Leeds 3D||3D, natural product-like scaffolds, high sp3||125||Varied||-||TBC||N/A|
|MiniFrags||Astex's pharmacophore||80||1M||in water available||yes||N/A|
|CovHetFrags||Small heterocyclic electrophyles (Covalent MiniFrags)||141||varied||-||TBC||György M Keserű|
|Cys Electrophyle||Cysteine covalent library||993||20||-||TBC||Nir London|
Details of all of our libraries (both live and decommissioned), are available on each libraries relevant sub-pages, including SMILES, contact details and links to any relevant websites and publications, where available. If you have used the library, please cite the relevant paper and/or use the acknowledgment text provided.
None of the compounds in our collection are bound by any IP. All compounds in our collection are commercially available from suppliers, or else published; if you wish to have IP assurances, please contact the suppliers or collaborators in question. The only requirement Diamond places on use of its facilities, through the academic route is that all results are published (covered by the Policy Documents on Diamond's website (here).
For the collaborative libraries, the chemistry groups who provided them to XChem free of charge, might want feedbacks on how well their library performed. If you have use them, you might be contacted by those groups for feedbacks.
If you want to use your own compounds or have your own fragments library, please have a look at our requirements.
We routinely use the DSI-poised library and bi-weekly update the availability of the fragments in the library plate available to users. If you wish to use any of the additional libraries, please let your local contact know well in advance:
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