DiPPI (Drugs in Protein-Protein Interfaces) provides a dataset for the investigation of drug-like small molecules in protein interfaces. DiPPI website can be accessed at http://interactome.ku.edu.tr:8501.
- drugs_in_interface: Small molecules analyzed in this study. PDB ligand ID and FDA approval of the molecule are provided.
- eliminatedMolecules*: Small molecules eliminated in the study are listed. These molecules are not available on the website.
- ligandData: Molecular descriptors of the ligand data, along with other characteristics such as FDA approval, source database, ECFP4 and Pharmacophore fingerprint clusters, SMILES ID and more.
- ligand_data_fda: FDA-approved subset of the ligand data.
- protein_summary: Summary information of used protein interfaces with their corresponding ligand information.
- protein_summary_fda: FDA-approved subset of the interface data.