Welcome to the PDBbind Database!

The PDBbind database is developed in Dr. Shaomeng Wang's group at the University of Michigan. The PDBbind database is designed to provide a collection of experimentally measured binding affinity data (Kd, Ki, and IC50) exclusively for the protein-ligand complexes available in the Protein Data Bank (PDB). All of the binding affinity data compiled in this database are cited from original references. Click here for a brief introduction to the PDBbind database.

2007 release. This release includes the protein-ligand complexes officially released by PDB before Jan 1st, 2007 and provides binding data of 3,214 protein-ligand complexes. For each entry in this set, a table summarizing its basic information is available our web site. A total of 1,300 protein-ligand complexes are selected to form the "refined set" with concerns on the quality of structures and binding data, which is compiled particularly for docking/scoring studies. For each entry in this set, properly processed structure files are provided so that they can be readily utilized by molecular modeling programs. Updated releases (2008 - present) are maintained by Dr. Renxiao Wang at Shanghai Institute of Organic Chemistry (SIOC). Please visit the website www.pdbbind.org.cn for the latest information.
Availability. Academic/governmental users may access the 2007 PDBbind database for free under a license agreement. Industrial/commercial users may access this database with a moderate amount of subscription fee. Please follow the instructions on the "enroll" page. For access to the current version of the PDBbind, please visit www.pdbbind.org.cn  and follow the Instruction.
[1] Wang, R.; Fang, X.; Lu, Y.; Yang, C.-Y.; Wang, S. "The PDBbind Database: Methodologies and updates", J. Med. Chem., 2005; 48(12); 4111-4119.

[2] Wang, R.; Fang, X.; Lu, Y.; Wang, S. "The PDBbind Database: Collection of Binding Affinities for Protein-Ligand Complexes with Known Three-Dimensional Structures", J. Med. Chem., 2004; 47(12); 2977-2980.
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