Use the world's largest database of curated crystal structures to advance your research.
Structural Chemistry Data, Software, and Insights.
Who We Serve
Pharmaceutical pill packet.Pharmaceutical pill packet.
Pharmaceutical
Data and software to support every stage of drug discovery, design, and development through to manufacturing.
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Someone doing research on a laptop with notes by their side.Someone doing research on a laptop with notes by their side.
Academic Research
High-impact work is published by thousands of scientists at top institutions around the world using CCDC tools.
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Crystals growing in the lab.Crystals growing in the lab.
Crystallography
From free software and data preservation, to advanced tools for data analysis.
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Functional Materials
Discover, develop, and characterize molecular materials for any application.
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Teaching and Learning
From school children to undergraduates and beyond. Free structural chemistry data and software, with accompanying lesson plans and resources.
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Professor Jennifer Swift
Professor Jennifer Swift
Georgetown University
"There's no limit to what you can ask."
The ability of the database to do new and interesting types of queries has a lot of potential — there's no limit to how many questions you could ask.
Martin Stahl, CSO LifeMine Therapeutics
Dr Martin Stahl
CSO, Zenith Therapeutics
"The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry."
Plus, you know that every structure you see has been derived from experiment. This leads to very high confidence in predictions based on CSD data, whether you predict a conformation or piece together a new structure from components.
Dr Gilles Ouvry
Dr Gilles Ouvry
VP Chemistry, NRG Therapeutics
"Time and time again, going back to actual conformational data derived from small molecule Xray has helped me interpret structure activity relationships."
In this sense, CCDC is a truly a unique database and softwares such as ConQuest and Mercury have not only been linchpins of my design process but also a constant source of inspiration for years.
Dr Dan Cheney
Former Scientific Director, Bristol Myers Squibb
"We found the CSD crystallographic tools to be highly effective for quickly addressing key questions in molecular analysis and design"
Which conformations are more stable? What interactions or structural features are most prevalent? What substructural replacements are viable?
Professor Jennifer Swift
Professor Jennifer Swift
Georgetown University
"There's no limit to what you can ask."
The ability of the database to do new and interesting types of queries has a lot of potential — there's no limit to how many questions you could ask.
Martin Stahl, CSO LifeMine Therapeutics
Dr Martin Stahl
CSO, Zenith Therapeutics
"The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry."
Plus, you know that every structure you see has been derived from experiment. This leads to very high confidence in predictions based on CSD data, whether you predict a conformation or piece together a new structure from components.
3D map of a molecule’s interaction preferences.3D map of a molecule’s interaction preferences.
Ready to advance your structural chemistry research?
Trusted by Thousands of Scientists Globally, Including:
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Evotec logoEvotec logo
BI Boehringer Ingelheim logoBI Boehringer Ingelheim logo
Gilead logoGilead logo
Merck logoMerck logo
GSK Glaxo Smith Kline logoGSK Glaxo Smith Kline logo
BMS Bristol Myers Squibb logoBMS Bristol Myers Squibb logo
Roche logoRoche logo
Alkermes logoAlkermes logo
Crystal packing with the space occupied by water shown.Crystal packing with the space occupied by water shown.
Ready to advance your structural science?
Upcoming Events
Join our regular webinars, virtual workshops, and meet our team at conferences and meetings around the world.
19
October
21
October
9:30–11:15Free Virtual Workshop: How to Use Particle Informatics Tools to Connect Crystal Structure to Particle Behaviour
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22
October
25
October
4
November
15:30–17:00 (GMT)Free Virtual Workshop: How to Use the Docking Software GOLD to Perform Virtual Screening Simulations
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