The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures

dWe have screened the entire Protein Data Bank (Release No. 103, January 2003) and identified 5671 protein-ligand complexes out of 19621 experimental structures. A systematic examination of the primary references of these entries has led to a collection of binding affinity data (K-d, K-i, and IC50) for a total of 1359 complexes. The outcomes of this project have been organized into a Web-accessible database named the PDBbind database.