FBDD "fragment based drug discovery" focuses on the efficient fit of a hit compound to a binding site on the protein target. Strict structural, substructural and special medicinal chemistry filters are applied during library preparation. The success of fragment-based screening relies heavily on the quality of the fragment library.
- ‘Rule of Three’ Compliant
- Proactively Structurally Filtered
- Quantifiable Diversity
- Pharmacophoric Enrichment
- Quality Assured
CrownSelect™ specially designed Fragment Library contains exclusive fragments that will bind to the binding site(s) of any target and will also provide suitable starting points for drug discovery. CrownSelect™ has proven successful for target families amenable to structure based design approaches, as well as membrane bound targets where screening of fragments enabled rapid generation of SAR information and hypotheses for more efficient H2L.
Library Characteristics:
| Parameter | Value |
|---|---|
| MW | < 300 |
| CLogP | < 3 |
| Number of Rotatable Bonds | < 3 |
| Number of H Donors | =< 3 |
| Number of H Acceptors | =< 4 |
| PSA | < 80 |
| Number of Rings | > 0 |
| LogSw | > -5 |
| Sum of Halogen Atoms | =< 4 |
| Compounds with "undesirable" functionalities | Not included |
| Compound amount in stock | > 20mg |