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 8,969 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 structure-activity 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 1,821 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 1,975 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 189 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 864 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 2,898 compounds, the amines set - 2,155 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