The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The database contains nearly 4800 drug entries including >1,350 FDA-approved small molecule drugs, 123 FDA-approved biotech (protein/peptide) drugs, 71 nutraceuticals and >3,243 experimental drugs. Additionally, more than 2,500 non-redundant protein (i.e. drug target) sequences are linked to these FDA approved drug entries. Each DrugCard entry contains more than 100 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.

DrugBank is supported by David Wishart, Departments of Computing Science & Biological Sciences, University of Alberta.

• You can now set the maximum number of results returned from a structure search on the ChemQuery page. The limit used to be 100, which missed some important drugs in the search results.
• We have implemented the ChemAxon solution for structure searches. You can now perform similarity (tanimoto), substructure, and exact searches via the ChemQuery function. This system replaces an outdated structure search and should be faster and more accurate. We have only added the most basic features for this release, so if you would like to see more/different features added, please let us know.
• We have added a new page containing links to other useful drug and small molecule databases. The other databases page will be updated as new datases are released.
• 2 new fields have been added to the drug cards:
  • The predicted logS (via ALOGPS) is essentially the log units of molar solubility, and is one less field you will need to calculate.
  • The InChIKey has been added as a unique structural identifier. We will soon be adding the ability to link to a drug via the InChIKey.

1. DrugBank: a knowledgebase for drugs, drug actions and drug targets. Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
   PMID: 18048412
2. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J. Nucleic Acids Res. 2006 Jan 1;34(Database issue):D668-72.
   PMID: 16381955