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It is estimated that 85% of the human proteome is considered undruggable(1)—finding effective ligands (pharmaceuticals) to target these proteins is considered exceptionally hard, or impossible.
Here we pose that this may not be impossible! We examine what makes a protein “undruggable”, and present strategies which can be used against such targets.
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In this blog we discuss work that used Cambridge Structural Database (CSD) and CCDC software to support a study related to the potential use of computational crystal structure prediction (CSP) to predict the formation of solvated forms of drug candidates. This is part of our series highlighting applications of the Cambridge Crystallographic Data Centre (CCDC) data and cheminformatics tools by scientists in industry and academia.
We are pleased to announce the June 2022 data update of the Cambridge Structural Database (CSD) is now available. This second update of the year brings 15,450 new experimentally determined structures (15,998 new entries) which brings the total number of entries in the CSD to almost 1.2 million.
