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2082: VHL ligand design: Round 7
Status: Closed
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Summary
| Name: | 2082: VHL ligand design: Round 7 |
|---|---|
| Status: | Closed |
| Created: | 12/15/2021 |
| Points: | 100 |
| Expired: | 12/22/2021 - 23:00 |
| Difficulty: | Intermediate |
| Description: | Design a small molecule which can bind VHL! This is the seventh in a series of puzzles using the small molecule design tools to design small molecule binders to the von Hippel-Lindau E3 ubiquitin ligase. We don't want you to modify the protein, but instead we'd like you to build new small molecules which fit into the VHL pocket. See the new "Inside the Pocket" and "Fun with Fragments!" tutorials to learn how to use the small molecule design tools.
Note: To get the most out of the small molecule design tools, we recommend changing you view settings to the Small Molecule Design Preset As with all the puzzles in this series, we're hoping you can continue to redesign the ligand to decrease the polarity and to change the center five member ring. Starting from the same place as Round 6, for Round 7 we've tightened the TPSA objective even further (and relaxed the cLogP objective). Can you find designs that preserve the existing interactions with the protein, while removing the "extra" polar groups? This is a project in collaboration with Boehringer Ingelheim. Boehringer Ingelheim has committed to help evaluate and test the molecules which Foldit players have designed. All compounds created as part of the collaboration puzzles will be made publicly available. Experimental results from testing the molecules will also be released publicly. All participants and game sponsors of current and future small molecule design games commit to complying with the Foldit Terms of Service including those pertaining to intellectual property. |
| Categories: | Small Molecule Design |
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Information about the objectives in this puzzle. (All objectives give +1000 points when fully satisfied, for a maximum of +10 000.)
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