The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
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- 4 May 2004
- journal article
- letter
- Published by American Chemical Society (ACS) in Journal of Medicinal Chemistry
- Vol. 47 (12), 2977-2980
- https://doi.org/10.1021/jm030580l
Abstract
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 (Kd, Ki, 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.Keywords
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