Fragments of high MedChem tractability
The largest enumerated database of synthetically feasible molecules
Impurity Reference Standards
Diverse covalent warheads with balanced reactivity
2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from September 2019
05 September 2019
Meet our delegates at International Symposium on DEL in Zurich to learn on our approaches in selecting DEL-compatible building blocks and on our advances in intriguing designs of novel chemotypes >>>
23 August 2019
In continuation of our efforts to make affordable screening libraries that can quickly be supplied for screening, we have plated two new targeted libraries designed to bring high quality and novelty to your hit finding program. Both freshly-made libraries are ready for fast shipment within only one week in various formats including assay-ready plates.
25 June 2019
In a recent JACS paper several academic groups collaborated on discovery of novel covalent inhibitors using a library of 993 acrylamides and chloroacetamides sourced from Enamine’s covalent fragment collection. The design was focusing on mild electrophiles that were supposed to overcome the selectivity challenge. The library was characterized by a new high-throughput thiol-reactivity assay and screened against 10 cysteine-containing proteins. Potent and unique primary hits have been found in the majority (7 out of 10) of cases.
Dvl-Axin Inhibitors library
Dvl-Axin interaction is mediated by specific PDZ-domain. Since structural information on this PPI interface is not available, we built a respective homology using the reported amino acid sequence and numerous SBio data on PDZ domains. The resulting model was used to conduct docking of our drug-like collection of small molecules at Enamine (2 634 231 compounds) and prioritize the best ‘hits’ using rigorous internal medchem filters to yield ca. 2 559 final Dvl-biased compounds. A representative example of putative Dvl binder is shown below.
Fig. 1.A representative example of Dvl/PDZ-domain binding ligand from our focused set.