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. 2022 Jan 28;15(2):165. doi: 10.3390/ph15020165

Figure 4.

Figure 4

Predicted binding poses of compounds 16 (A) and 17 (B) as well as the binding mode of compound 21 ((C); PDB ID 3i97) [35] within the SARS-CoV-2 CendR binding pocket on the b1 NRP1 domain (PDB ID: 6FMC) [38]. NRP1 is depicted in green cartoon representation, while ligands and key amino acids are in stick representation. Hydrogen, salt bridge and π-π stacking interactions are depicted as yellow, violet, and cyan dashes, respectively. Overlay of the predicted binding modes of compounds 16 and 17 with the binding pose of compound 21 (D).