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

被引：717
|
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.
引用
收藏
页码：2977 / 2980
页数：4
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