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

被引：769

作者：

Wang, RX

Fang, XL

Lu, YP

Wang, SM

机构：

[1] Univ Michigan, Sch Med, Dept Internal Med, Ann Arbor, MI 48109 USA

[2] Univ Michigan, Sch Med, Ctr Comprehens Canc, Ann Arbor, MI 48109 USA

[3] Univ Michigan, Coll Pharm, Dept Med Chem, Ann Arbor, MI 48109 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2004年 / 47卷 / 12期

关键词：

D O I：

10.1021/jm030580l

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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.

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页码：2977 / 2980

页数：4

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