The Fragment-based approach stands as a highly effective way to find the starting points for drug discovery projects. Once the potent fragment is identified, researchers often face the problem of growing it into a lead compound or connecting the identified fragments using linkers. However, the resulting structures usually require expensive custom synthesis.
We at Chemspace have used the modular nature of Enamine REAL space to our advantage, getting access to 2.7T chemical space with a low price and turnaround time. A specifically tailored fragment library could become the perfect entry point to this space, so a strategy had to be developed to obtain the most suitable fragment selection
For the creation of this library, all synthons were grouped by their scaffolds, and each group was superimposed in 2D coordinate space. This allowed us to select the scaffolds that have exit vectors in more than 2 quadrants. It means that scaffolds can be grown in a wider variety of directions. Thus, we mapped scaffolds to synthons and selected those that resulted in the most chemically diverse compounds.
We offer a final set of 4,960 compounds that are pre-plated and can be ordered from Chemspace, though we support any kind of customization. The final set of fragments represents the whole Enamine REAL Space including the chemical diversity and variety of chemical transformations.
With REAL Fragment Library, you can:
- Develop custom compound sets, tailored to your needs;
- Accelerate SAR analysis process;
- Growing the fragment of your interest in 3-4 weeks;
- Get compounds with 80% synthesis success rate, since the final selection is complete.
Below you can find an illustration showing the general workflow.
You can also find additional information about REAL Fragment Library by downloading PDF. For any questions contact us at sales@chem-space.com.
