We introduce a 3D superposition feature that allows users to either superpose two drugs within the database or alternatively the users can search for a target of interest which has a known crystal structure with a ligand bound to it. The user can then choose or provide a new drug/ligand as input that will be superposed with the ligand that is bound to the protein structure. The superposition provides a hint how well a new ligand could fit into the binding pocket of the target. The methodology behind the superposition was previously described in our publications on 2D and 3D similarity landscapes and Superimposé server.
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