Use the world's largest database of curated crystal structures to advance your research.

Structural Chemistry Data, Software, and Insights.

Who We Serve

Pharmaceutical

Data and software to support every stage of drug discovery, design, and development through to manufacturing.

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Agrochemical

Discover, develop, and manufacture novel crop protection compounds.

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Academic Research

High-impact work is published by thousands of scientists at top institutions around the world using CCDC tools.

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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 data and software, with accompanying lesson plans and resources.

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Dr John Liebeschuetz

Computational Chemist, Astex Pharmaceuticals

"Mogul is an excellent tool for identifying crystallographic problems with ligands in protein-ligand crystal structures."

Identifying truly unusual geometry in a ligand allows us to design that out, reducing strain and improving potency.

Dr Martin Stahl

Chief Scientific Officer, LifeMine 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.

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.

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 John Liebeschuetz

Computational Chemist, Astex Pharmaceuticals

"Mogul is an excellent tool for identifying crystallographic problems with ligands in protein-ligand crystal structures."

Identifying truly unusual geometry in a ligand allows us to design that out, reducing strain and improving potency.

Dr Martin Stahl

Chief Scientific Officer, LifeMine Therapeutics

"The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry."

3D map of a molecule’s interaction preferences.

Ready to advance your structural science?

Deposit Structures

Upload your data for inclusion in the Cambridge Structural Database or the Inorganic Crystal Structure Database.

Deposit Structures

Access Structures

View and retrieve structures in the Cambridge Structural Database.

Access Structures

Latest CSD Updates

See the latest releases and updates, and download the latest CSD data and software.

What's New in the CSD?

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What We Do

We are world-leading experts in structural chemistry data, software and knowledge for materials and life sciences research and development.

Learn More About Our Vision and Mission

Crystal Structure Data

The world’s repository for experimentally derived small-molecule organic and metal-organic crystal structures. Used by thousands of scientists globally to drive novel research and discoveries. Learn more about The Cambridge Structural Database.

Explore the CSD

Software for Discovery and Development

Our software enables the discovery of novel compounds, and the development of solid form materials. Hundreds of papers published in the literature prove its impact across diverse fields from pharmaceuticals, catalysis, porous materials, agrochemicals, magnetic, optical, and electronic products.

See CSD Software

Consultancy and Services

Benefit from our expertise, and data-driven insights, with our consultancy and services. From ad-hoc projects to long term partnerships, our team has supported top industrial clients for over a decade in their discovery, development, and molecular design projects.

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Get our latest news, events, and updates straight to your inbox. Register for our monthly newsletter or software update alerts here.

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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.

Structural Chemistry Data, Software, and Insights.

Who We Serve

Pharmaceutical

Agrochemical

Academic Research

Crystallography

Functional Materials

Teaching and Learning

"Mogul is an excellent tool for identifying crystallographic problems with ligands in protein-ligand crystal structures."

"The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry."

"There's no limit to what you can ask."

"Time and time again, going back to actual conformational data derived from small molecule Xray has helped me interpret structure activity relationships."

"Mogul is an excellent tool for identifying crystallographic problems with ligands in protein-ligand crystal structures."

"The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry."

Ready to advance your structural science?

Deposit Structures

Access Structures

Latest CSD Updates

What We Do

We are world-leading experts in structural chemistry data, software and knowledge for materials and life sciences research and development.

Crystal Structure Data

Software for Discovery and Development

Consultancy and Services

Stay in Touch

Ready to advance your structural science?

Upcoming Events

23January

Webinar: How To Match Powder Patterns to Crystal Structures

19February

Cambridge Cheminformatics Network Meetings

6May

ICDD: PPXRD-18 – XRD Training for the Pharmaceutical Scientist

19June

PhD Student Science Day 2025

23
January

19
February

6
May

19
June