2071: VHL ligand design: Round 4
|Name:||2071: VHL ligand design: Round 4|
|Expired:||11/24/2021 - 23:00|
|Description:||Design a small molecule which can bind VHL! This is the third 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, or
For this round, we're interested to see if you can fill the void at the center of the pocket, and make hydrogen bonds to the two unsatisfied polars there. (This is the location of the hydroxyproline in Round 1 & Round 2, which we've removed from the starting structure of this round.) The objectives from the previous rounds are back, set up so you'll get a nice bonus if you're able to satisfy the two polars in the center of the pocket. Similar bad groups as before, though they've been adjusted such that remaking the hydroxyproline from Round 1 or 2 (or something similar) won't get you the full bonus.
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:||Overall, Small Molecule Design|
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