CSD hits half-a-million crystal structures

The CSD’s 500,000th structure is the anti-convulsant drug Lamotrigine, published in Acta Crystallographica, C65, o460-o464, 2009, by Balasubramanian Sridhar and Krishnan Ravikumar of the Indian Institute of Chemical Technology in Hyderabad. The CSD reference code for the structure is EFEMUX01. Lamotrigine (Lamictal®) was discovered by GlaxoSmithKline and approved by the US FDA for the treatment of epilepsy in 1994 and additionally for the treatment of bipolar I disorder in 2003. Lamotrigine is chemically unrelated to other anticonvulsant or mood regulating medications, and is distinguished by its relatively benign side effects. It is frequently effective in patients who have not responded to antidepressants or other mood stabilisers. The CSD contains chemical structure information on several close variants of the compound, all of which, when used together, provide invaluable information to the life sciences community in their quest to optimise the efficacy of such medicines.

 

Fig. 1 Crystal structure of Lamotrigine (CSD reference code EFEMUX01). The structure can be viewed using WebCSD – the online search interface to the CSD at www.ccdc.cam.ac.uk/halfmillionthstructure.

Dr Colin Groom, Executive Director of the CCDC says that “the determination of 500,000 crystal structures is a remarkable achievement. However, the scientific community is hungry for the next 500,000 and the knowledge these will undoubtedly bring. As the CSD grows both in size and in the complexity of structures it contains, the database not only helps us to answer our questions about molecular structure and interactions, but tells us what those questions should be”.