GPCR Decoy Database

The GDD, a GPCR Decoy Database, with its accompanying GPCR Ligand Library (GLL) have been compiled to help in GPCR docking. The main characteristics of GLL and GDD are:

  • Sets of ligands and decoys for 147 GPCR targets.
  • For each ligand, 39 decoys were drawn from ZINC ensuring physical similarity of six properties (molecular weight, formal charge, hydrogen bond donors and acceptors, rotatable bonds and logP), but structural dissimilarity.

GLL and GDD are developed by the Cavasotto Laboratory, and are freely available to the community. The ZINC database is used by permission. Please cite GLL/GDD as: Gatica E.A. and Cavasotto C.N., Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors, J. Chem Inf. Model. 52:1–6 (2012), In this paper, we also showed the performance in docking of the GDD evaluated on 19 GPCRs compared to bias-uncorrected decoys sets, together with an assessment of the use of different charge-related properties in decoy generation. For comments, please contact Claudio Cavasotto at

Download GLL and GDD