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        Fragment Libraries

        All-purpose fragment library sdf

        Fragment-based drug discovery (FBDD) has been a tool for discovering new lead compounds. FBDD develops rapidly: two drugs have already been approved and more than thirty drug candidates have entered the clinic. We have created an all-purpose fragment library of 9388 substances. The library is thought to be a valuable starting point for any FBDD related project.

        Fluorine fragment library sdf

        19F NMR-based fragment screening has been a method for searching for new F-containing fragment hits. The method is also widely employed as a tool for probing a structureactivity relationship (SAR) in the hit-to-lead pathway.1,2 Understanding its significance, we have created fluorine fragment library selecting molecules with a single-type fluorine group. The library comprises 1951 substances with fragment-like physicochemical profiles.

        “High Fsp3” fragment library sdf

        Fragment-like molecules with a high content of sp3-hybridized carbon atoms have been widely employed in recent fragment-based drug discovery projects because «escape from flatland» principle has had a significant influence on searching for new hits3. Our high Fsp3?library consists of 2080 fragments with mostly saturated carbon atoms.

        Spiro fragments library sdf

        Not only fraction of sp3-hybridized carbons may be important, but also rigidity of the molecule, its unability to take many conformations, and its spherical profile. Our set contains 204 fragment-like compounds that possess a spirocyclic moiety.

        “Special selection” fragment library sdf

        Recent reports have suggested more strict than rule of 3?criteria for fragment libraries to effectively afford hits4,5. In FCH group, we have prepared a special selection?library of 881 molecules that meet these strict criteria.

        Fragment-like amines sdf
        Fragment-like acids sdf

        We have created two sets of polar fragments: carboxylic acids and primary and secondary amines. The presence of carboxylic or amino group might serve as a good starting point for growing a fragment to lead molecule. The acids set contains 2967 compounds, the amines set ?2250 compounds.

        Amino acid fragments sdf

        A collection of 48 unnatural amino acids, which have a potential usage in mimicking peptide bonds or the PPI studies. All compounds meet rule of 3?

        We deliver our compounds in various formats: in dry powders/solutions placed in vials/microtubes/plates (96 or 384 wells).

        1Vulpetti, A.; Dalvit, C., ChemMedChem 2013, 8, 2057–2069
        2Jordan, J.et al,  J. Med. Chem. 2012, 55, 678–687
        3Lovering et al,  J. Med. Chem. 2009, 52, 6752–6756
        4C. W. Murray, D. C. Rees, Angew. Chemie Int. Ed. 2016, 55, 488–492
        5G. M. Keserű et al, J. Med. Chem. 2016, 59, 8189–8206