Download Cresset Spark 10.6 + License
Download Cresset Spark with License and cresset spark database Scaffold hopping and R-group replacement to generate innovative ideas for your discovery projects. Find biologically equivalent replacements for key moieties in your molecule and be guided through the process of growing and linking ligands.
Features of the software Cresset Spark
- Generate highly innovative ideas for your project
- Move to new series and non-obvious IP by swapping scaffolds
- Find the best R-groups from your reagents
- Grow a ligand into new space, picking ligand-protein interactions directly from the active site, or guided by existing ligands
- Join two ligands sitting in different regions of your protein active site
- Cyclize a molecule by joining two atoms with a linker
- Search for an R-group which will displace a crystallographic water molecule near your ligand
Spark databases
Spark databases are derived from commercially available screening compounds (eMolecules screening compounds), literature reports (ChEMBL), theoretical ring systems (VEHICLe) and commercial reagents (eMolecules building blocks). Larger databases are split based on the frequency of occurrence of the fragments. Spark databases based on small molecule crystal structure data from the Crystallography Open Database and Cambridge Structural Database are also available
Spark License valid and Unlimited
- Spark
- Remote Engine Capability
- Database Generator
- Local Docking
- Remote Docking
Cresset Spark Software Detail
- Software Version: 10.6.0 Revision 41138
- Activation: With License
- File Size: 137 MB
- Operating System: Windows
