Research Statement
- Link drugs and other chemical tools to driver mutant proteins and other targets.
- Quantify the druggability of each driver protein.
- Develop a set of candidate, accessible ligands for each driver protein, from literature compounds, augmented by molecular docking and chemical similarity calculations.

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Management Team
- Lincoln Stein, Principal Investigator
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Development Team
- John Irwin, Research Team
Outcomes
- Drug-target mapping has been incorporated into the ICGC portal, allowing fasceted search using drugs and the targets they modulate.
- Links to additional information, including clinical trials and purchasability status, has also been integrated.
- Further rich information about each compound including links to other annotated data sources, analog discovery, and much more is available via the ZINC website.
Software
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Database of commercially available and annotated molecules
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On-line molecular docking
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Similarity Ensemble Approach (SEA)
For the prediction of biological targets of small molecules
Latest Publications & Presentations
ZINC 15--Ligand Discovery for Everyone.
Journal of chemical information and modeling, 2015;55(11):2324-37
Automated docking screens: a feasibility study.
Journal of medicinal chemistry, 2009;52(18):5712-20