Receptor cavity-based screening reveals potential allosteric modulators of gonadotropin receptors in carp (Cyprinus carpio)

The datasets include input files used for docking  including the receptor models, docking grids and and ligand databases consisting of prepared ligand used in screening of potential allosteric modulators for carp FSHR and LHR. the original dataset  were sourced from The compound libraries from https://enamine.net/compound-libraries and are free to access, downloaded and used as per the mentioned sites terms and conditions. The ligand Database given here are constructed and processed  using the Phase module (Phase, Schrödinger, LLC, New York, NY, 2021.). The dataset also includes .pdb files of the docked ligands.