DATABASE: Caught in a Bind

Science  17 Mar 2006:
Vol. 311, Issue 5767, pp. 1529
DOI: 10.1126/science.311.5767.1529b

How tightly a potential drug attaches to its target determines how well the compound will work and what dose patients will need. Researchers can nab binding affinities for about 14,000 compounds at BindingDB from Mike Gilson of the University of Maryland Biotechnology Institute in Rockville and colleagues. Gleaned from the literature, the data indicate the strength of attraction between the compounds and key proteins, such as the caspase proteins that control cellular suicide. You can also upload files of molecules not in the database to compare them to inhibitors of a particular enzyme.

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