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Table 2 Binding affinity scores and energies of GCGR in complex with PIB and CAA.

From: Computational identification of novel natural inhibitors of glucagon receptor for checking type II diabetes mellitus

Compound Zinc ID Docking Score Glide Ligand Efficiency Glide evdw (kcal/mol) Glide emodel Glide energy (kcal/mol)
PIB ZINC06623951 -9.53 -1.06 -31.69 -52.56 -39.41
CAA ZINC12864028 -9.47 -0.87 -35.75 -54.20 -38.82
MK-0893 - -11.03 -0.27 -34.77 -67.70 -46.01
Ly2409021 - -5.61 -0.27 -24.37 -32.40 -32.24
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