Cited by 219Protein Degradation and InhibitorsComputational Drug Discovery MethodsChemical Synthesis and Analysis

PROTAC-DB: an online database of PROTACs

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Weng, Gaoqi, Shen, Chao, Cao, Dongsheng, Gao, Junbo, Dong, Xiaowu, He, Qiaojun, Yang, Bo, Li, Dan +2 more·2021·Nucleic Acids Research

Abstract

Proteolysis-targeting chimeras (PROTACs), which selectively degrade targeted proteins by the ubiquitin-proteasome system, have emerged as a novel therapeutic technology with potential advantages over traditional inhibition strategies. In the past few years, this technology has achieved substantial progress and two PROTACs have been advanced into phase I clinical trials. However, this technology is still maturing and the design of PROTACs remains a great challenge. In order to promote the rational design of PROTACs, we present PROTAC-DB, a web-based open-access database that integrates structural information and experimental data of PROTACs. Currently, PROTAC-DB consists of 1662 PROTACs, 202 warheads (small molecules that target the proteins of interest), 65 E3 ligands (small molecules capable of recruiting E3 ligases) and 806 linkers, as well as their chemical structures, biological activities, and physicochemical properties. Except the biological activities of warheads and E3 ligands, PROTAC-DB also provides the degradation capacities, binding affinities and cellular activities for PROTACs. PROTAC-DB can be queried with two general searching approaches: text-based (target name, compound name or ID) and structure-based. In addition, for the convenience of users, a filtering tool for the searching results based on the physicochemical properties of compounds is also offered. PROTAC-DB is freely accessible at http://cadd.zju.edu.cn/protacdb/.

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  • Currently, all PROTACs to date use just a handful of non-specialized ligases.

    “Currently, all PROTACs to date use just a handful of these non-specialized ligases, collated in an online database: PROTAC-DB92.”

    From PROTAC targeted protein degraders: the past is prologue (2022) · cites this paper as [92]

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Authors
Weng, G., Shen, C., Cao, D., Gao, J., Dong, X., He, Q., Yang, B., Li, D., Wu, J., & Hou, T.
Affiliations
  • Zhejiang University (CN)
  • Central South University (CN)
Corresponding author
  • Li, Dan
  • Wu, Jian
  • Hou, Tingjun
Venue
Nucleic Acids Research
Published
2020-10-03
Volume
49
Issue
D1
Pages
D1381-D1387
ISSN
  • 0305-1048 (ISSN-L)
  • 1362-4962
OpenAlex
W3090754737
Cited by
219
References
27
Citations by year
2026: 31 · 2025: 39 · 2024: 35 · 2023: 46 · 2022: 47 · 2021: 19 · 2020: 2
FWCI
9.32
Type
journal article
Language
en
Open access
Locations
  • Nucleic Acids Research (publishedVersion, cc-by)
  • PubMed Central (publishedVersion, cc-by)
  • PubMed (publishedVersion)
Funders
  • National Key Research and Development Program of China (2016YFB0201700)
  • Key R&D Program of Zhejiang Province (2020C03010)
  • National Natural Science Foundation of China (21575128, 81773632)
  • Zhejiang Provincial Natural Science Foundation (LZ19H300001)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Degradation and Inhibitors
  • Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Chemical Synthesis and Analysis
Keywords
PROTACs, protein degradation, ubiquitin-proteasome system, E3 ubiquitin ligase, warheads, linkers, physicochemical properties, binding affinity, cellular activity, PROTAC design
MeSH terms
Binding Sites, Pharmaceutical Preparations, Humans, Ligands, Protein Binding, Software, Drug Delivery Systems, Internet, Ubiquitin-Protein Ligases, Proteasome Endopeptidase Complex, Small Molecule Libraries, Ubiquitination, Drug Discovery, Proteolysis, Databases, Chemical

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