Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket

[Image: see text] We describe the optimization of modestly active starting points to potent inhibitors of BCL6 by growing into a subpocket, which was occupied by a network of five stably bound water molecules. Identifying potent inhibitors required not only forming new interactions in the subpocket...

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Detalles Bibliográficos
Autores principales: Lloyd, Matthew G., Huckvale, Rosemary, Cheung, Kwai-Ming J., Rodrigues, Matthew J., Collie, Gavin W., Pierrat, Olivier A., Gatti Iou, Mahad, Carter, Michael, Davis, Owen A., McAndrew, P. Craig, Gunnell, Emma, Le Bihan, Yann-Vaï, Talbot, Rachel, Henley, Alan T., Johnson, Louise D., Hayes, Angela, Bright, Michael D., Raynaud, Florence I., Meniconi, Mirco, Burke, Rosemary, van Montfort, Rob L. M., Rossanese, Olivia W., Bellenie, Benjamin R., Hoelder, Swen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8667045/
https://www.ncbi.nlm.nih.gov/pubmed/34846884
http://dx.doi.org/10.1021/acs.jmedchem.1c00946

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