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

J Med Chem. 2004 Jun 3;47(12):2977-80. doi: 10.1021/jm030580l.


We have screened the entire Protein Data Bank (Release No. 103, January 2003) and identified 5671 protein-ligand complexes out of 19 621 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 IC(50)) for a total of 1359 complexes. The outcomes of this project have been organized into a Web-accessible database named the PDBbind database.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Databases, Protein*
  • Internet*
  • Ligands*
  • Protein Binding
  • Protein Conformation


  • Ligands