3decision® for Medicinal Chemists

The following are some typical use cases for Medicinal chemists

  • Visualize the ligand-protein complex and analyze the binding site

  • Compare binding modes with a quick one-click overlay

  • Share your project structures through different collaborative features

  • Get ideas for the design of a new compound or assess possible off-target by assessing binding site similarity

  • For more use cases and curiosities, please contact us

Chemistry Search | Easily sketch or import molecules to conduct chemistry-based queries against the full database.

Chemistry Search | Easily sketch or import molecules to conduct chemistry-based queries against the full database.

Share Structures | Projects can be created to organize and share public or private structures with colleagues.

Share Structures | Projects can be created to organize and share public or private structures with colleagues.

Access knowledge | Quickly visualize and compare structures and access relevant target information.

Access knowledge | Quickly visualize and compare structures and access relevant target information.

Measurement Options | In the 3D Viewer, quickly calculate distances, angles, and dihedrals using the measurement tools.

Measurement Options | In the 3D Viewer, quickly calculate distances, angles, and dihedrals using the measurement tools.

3decision® in action

How to exploit protein-ligand interactions for new design ideas? - Drug repurposing Use Case

How to overlay ligand binding sites in 3decision?

3decision® Facilitates Collaboration in Drug Discovery Projects

3decision® allows you to perform advanced searches of protein & ligand 3D structural data and analyze the results with a set of integrated tools. The user interface is adapted to both beginners and advanced users and allows the whole drug discovery team to generate, test, and share ideas.