FieldTemplater

Generate the most accurate field pharmacophores available

FieldTemplater™, a component of Forge™, enables you to understand how your active compounds interact with their protein target and which parts of those active molecules are involved in binding even when you don’t have structural information for your target.

Working from just a few 2D structures of known active ligands, FieldTemplater generates a series of conformations that the ligands might adopt at physiological conditions. It analyzes these conformations to find sets that show a high molecular field similarity (and hence have similar shape/binding properties). Where all the ligands with a common activity align well, it is very likely that this is the bioactive conformation. The similarities and differences in the sets provide insights into how active ligands bind to a common active site.

FieldTemplater’s scientifically validated approach enables computational chemists to:

In cases such as GPCRs, ion channels and novel targets where the target’s structure is unavailable, FieldTemplater is the best way to reconstruct the bioactive conformation of the ligands, giving simple and easy to interpret results.

FieldTemplater is available as a module of Forge or via consultancy services.