The four designs in this submission combine two spirocyclic fusions (dihydrouracil; glutarimide) of the dihydroisoquinolone scaffold with two pendant amide substituents on the DHIQ nitrogen. I consider dihydrouracil/glutarimide (6-membered rings) as more likely to be able to accept a hydrogen bond from G143 than their hydantoin/succinimide (5-membered rings) analogs. The four designs have also been submitted as racemates.
Protein-ligand complexes (P1090 A chain) were energy-minimized using Szybki (MMFF94S). The PDB file associated with this submission contains the following:  P1090 protein structure  P1090 A chain crystallographic ligand (MAT-POS-4223bc15-23) [3-6] Binding modes predicted for Designs 1-4.