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GPCR Panel Predictions for Multiple Targets, Repurposing and Side Effects

GPCR Panel  is a one-click web tool for predicting multiple GPCR targets. It integrates docking, target identifying, body site distribution, and side effect prediction in a single consistent pipeline. This tool gives users the convenience to identify multiple GPCR targets to predict potential interaction positions in a single procedure. Users can easily know the possible human body site of the potential side effect or to know potential unintended GPCR interactions.

The input of GPCR Panel should be a user-inputted compound, whose format is pdbqt. GPCR Panel will then dock this user-defined ligand with a library of all experimental determined 3D structures of human GPCRs. After processing, it creates a list of GPCRs ranked by the affinities between all GPCRs in GPCR panel database and the input compound. With such function, users can decide which GPCRs would be the targets of their compound and the possibilities of off target effect and repurposing use. The output file contains the ranking list, and each docking results in pdbqt.

For detailed list of GPCR targets in this tool, please see HELP.