Is there a crystal structure for one of the more active, non-covalent Ugi compounds such as MAT-POS-f2460aef-1?
Unfortunately not at the moment - we have struggled with getting Ugi compounds with the fluorobenzyl group into the crystals (likely due to the crystal packing) but have some experiments planned with another crystal form next week so hopefully we might have something shortly.
Thanks, Daren, and please keep me posted with any developments. I’ll be looking at potential modifications of the furan and t-butyl and can use PDB:6W63 for this work. I’d be surprised if the fluorophenyl is completey buried and would anticipate that aza-substitutions can be made without too much loss of potency. Good luck with the expermiments.