DLiP is a database for investigating small and medium-sized compounds that inhibit PPIs. It contains compound library data for PPI targets and known PPI inhibitor data collected from public databases. Therefore, it is useful for finding candidates in various drug discovery researches targeting PPIs.
Users can search for over 15,000 newly-synthesized compounds designed to inhibit PPIs. There are several functions such as search by keywords, structural similarity, and chemical drawing to find compounds. The PPI library compounds were subject to descriptor calculation by several tools such as RDKit, CDK, and Mordred which are widely used in chemoinformatics research. Users can find compound information of interest for each compound such as molecular properties, chemical structures as well as PPI interfaces and targets.
Users can search for over 10,000 known PPI related compounds collected from public databases. These compound data are linked to PPI targets and PPI activity (active and inactive). There are several functions to search by keywords, chemical drawings, and lists of known PPI targets.
| # of Compounds | # of Activity Datapoints | |
|---|---|---|
| PPI Compound Library | 15,214 | 552 |
| Curation Data (Known PPI Inhibitors) | 25,817 | 25,817 |
This database is developed by
This research is supported by Japan Agency for Medical Research and Development, AMED.
@article{ikeda2022dlip,
title={DLiP-PPI library: An integrated chemical database of small-to-medium-sized molecules targeting protein--protein interactions},
author={Ikeda, Kazuyoshi and Maezawa, Yuta and Yonezawa, Tomoki and Shimizu, Yugo and Tashiro, Toshiyuki and Kanai, Satoru and Sugaya, Nobuyoshi and Masuda, Yoshiaki and Inoue, Naoko and Niimi, Tatsuya and others},
journal={Frontiers in Chemistry},
volume={10},
year={2022},
publisher={Frontiers Media SA}
}