Fragment Libraries

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.

Details of all of our libraries (both live and decommissioned), are available on each relevant sub-page, 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, and all are commercially available from suppliers. 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 feedback on how well their library performed. If you have use them, we might request to put you in touch with designers for feedback.

If you want to use your own compounds or fragment library, please have a look at Using Your Own Library

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:

• DSI-Poised: Diamond, SGC
• EUbOPEN - DSiP extended: Adam Nelson
• SpotXplorer: Gyorgy Keseru, Hungarian Academy of Sciences
• CovHetFrags: Gyorgy Keseru, Hungarian Academy of Sciences
• FragLites: Michael Waring and Martin Noble, CRUK, Newcastle University.
• Minifrags: Astex
• Peplites: (Michael Waring and Martin Noble, CRUK, Newcastle University.
• York 3D: Peter O'Brien, University of York.
• Leeds 3D: Adam Nelson and Steve Marsden, University of Leeds.
• Cambridge 3D: Dave Spring, University of Cambridge.
• Cys Electrophile: Nir London, Weizmann Institute, Israel.
• EU-OPENSCREEN : EU-OPENSCREEN partner sites Fraunhofer IME in Hamburg and IMIM in Barcelona, in collaboration with iNEXT-Discovery/ Instruct-ERIC partners.

We have three decommissioned libraries. The have been in solution in plates for a long time and we are not planning on getting fresh stocks.

• Edelris Keymical
• UK 3D
• Maybridge