PoSSuM v.2.0: Data update and a new function for investigating ligand analogs and target proteins of small-molecule drugs

Jun Ichi Ito, Kazuyoshi Ikeda, Kazunori Yamada, Kenji Mizuguchi, Kentaro Tomii

研究成果: Article査読

14 被引用数 (Scopus)

抄録

PoSSuM (http://possum.cbrc.jp/PoSSuM/) is a database for detecting similar small-molecule binding sites on proteins. Since its initial release in 2011, PoSSuM has grown to provide information related to 49 million pairs of similar binding sites discovered among 5.5 million known and putative binding sites. This enlargement of the database is expected to enhance opportunities for biological and pharmaceutical applications, such as predictions of new functions and drug discovery. In this release, we have provided a new service named PoSSuM drug search (PoSSuMds) at http://possum.cbrc.jp/PoSSuM/drug search/, in which we selected 194 approved drug compounds retrieved from ChEMBL, and detected their known binding pockets and pockets that are similar to them. Users can access and download all of the search results via a new web interface, which is useful for finding ligand analogs as well as potential target proteins. Furthermore, PoSSuMds enables users to explore the binding pocket universe within PoSSuM. Additionally, we have improved the web interface with new functions, including sortable tables and a viewer for visualizing and downloading superimposed pockets.

本文言語English
ページ(範囲)D392-D398
ジャーナルNucleic acids research
43
D1
DOI
出版ステータスPublished - 2015 1 28
外部発表はい

ASJC Scopus subject areas

  • 遺伝学

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