Introduction:

The aim of dbHDPLS database is to build a comprehensive protein-ligand structure database related to human diseases, and a wealth of biological, chemical, and pharmacological information for protein structures are provided in the database. Ligand drug information, protein disease information and protein-ligand interaction information are also provided in the database. We believe that the database may be a reliable resource and applied in structure-based drug target discovery, druggability prediction of protein-ligand binding sites, drug-disease relationships based on protein complex structures and other research fields.

The database contains 8833 entries covering all drug molecular structures that ligands in each structure has at least one drug, which is approved drug molecular or experimental drug molecular.

The database supports extensive query using PDB ID, Ligands ID, protein name or related disease. Each record of structure was prudently annotated by structure information, protein information, ligands information and hyperlinks to other databases, such as PDB, Uniprot, DrugBank.

Citation: Muchun Zhu, Xiaoping Song, Peng Chen*, Wenyan Wang, Bing Wang*, dbHDPLS: A database of human disease-related protein-ligand structures. Computational Biology and Chemistry 2018. (Accepted)