| Code of the selected molecules | glide energy | glide emodel | docking score | IFD score | Hydrogen Bond Interaction | Hydrophobic interaction | Pi-Pi. Pi-Cation. Salt Bridge Interaction |
| Z2121011596 | −65.577 | −103.426 | −14.657 | −639.643 | Glu 885, Phe 918, Cys 919, Asp 1046 | Leu 840, Val 848, Ala 866, Leu 889, Val 898, Val 899, Val 916, Cys 919, Leu 1019, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | Phe 1047 |
| PV-002089512142 | −68.303 | −107.062 | −12.975 | −638.221 | Glu 885, Cys 919, Asp 1046 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Val 898, Val 899, Val 916, Cys 919, Leu 1019, Leu 1035, Cys 1045, Phe 1047, Val 916 | Phe 1047 |
| PV-002342843731 | −73.504 | −114.834 | −14.133 | −637.954 | Glu 885, Asp 1046 | Leu 840, Val 848, Val 898, Val 899, Val 914, Phe 918, Cys 919, Leu 1019, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | Hie 1026. Asp 1046. Phe 1047 |
| Z1683225090 | −57.998 | −96.381 | −14.095 | −637.185 | Cys 919, Asp 1046 | Val 848, Ala 866, Ile 888, Leu 889, Val 898, Val 899, Val 916, Cys 919, Leu 1019, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | Lys 868 Phe 1047 |
| Z1890693512 | −56.527 | −91.994 | −14.509 | −636.925 | Glu 917, Cys 919 Asp 1046 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Val 899, Val 914, Val 916, Leu 1035, Phe 1047 | Lys 868 Phe 1047 |
| PV-002558797812 | −66.936 | −91.402 | −12.247 | −636.705 | Glu 917 Asp 1046 | Val 848, Ile 888, Leu 889, Ile 892, Val 899, Val 916, Leu 1019, Cys 1024, Leu 1035, Phe 1047 | Hie 1026 Phe 1047 |
| PV-000250468827 | −56.840 | −67.676 | −11.254 | −635.412 | Leu 840, Asp 923, Asp 1046 | Leu 840, Val 848, Ala 866, Val 899, Val 916, Cys 919, Phe 1047 | Phe 1047 |
| Z1684534882 | −62.921 | −96.818 | −13.148 | −634.956 | Cys 919 Asp 1046 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Phe 918, Cys 919, Leu 1019, Cys 1024, Leu 1035, Cys 1045, Phe 1047 | Lys 868 Hie 1026 Phe 1047 |
| PV-000185178177 | −44.945 | −72.693 | −11.632 | −634.761 | Glu 885 | Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Val 899, Val 914, Val 916, Phe 918, Cys 919, Leu 1019, Leu 1035, Cys 1045, Phe 1047 | Phe 1047 |
| PV-001434258746 | −63.550 | −98.254 | −13.267 | −633.864 | Glu 885 Asp 1046 Cys 919 | Leu 840, Val 848, Ala 866, Leu 889, Val 916, Phe 918, Cys 919, Leu 1019, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | Hie 1026 Phe 1047 |
| Z1694049401 | −64.246 | −111.153 | −12.961 | −640.905 | Cys 919, Cys 1045, Asp 1046 Glu 885 | Val 848, Ala 866, Leu 889, Ile 892, Val 898, Val 899, Val 916, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | … |
| Z2150792351 | −72.672 | −117.600 | −13.461 | −639.538 | GLU 885 ASP 1046 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Val 898, Val 899, Phe 918, Leu 1019, Leu 1035, Cys 1045, Phe 1047 | Phe 1047 |
| PV-002427431755 | −64.845 | −105.371 | −14.555 | −638.659 | Glu 885, Asp 1046 Cys 919, Cys 1045 | Leu 840, Val 848, Ala 866, Leu 889, Val 914, Val 916, Phe 918, Cys 919, Leu 1035, Cys 1045, Phe 1047 | Hie 1026 |
| PV-002201035475 | −68.464 | −115.225 | −13.511 | −638.470 | Cys 919, Cys 1045, Glu 885 | Leu 840, Val 848, Ala 866, Val 916, Phe 918, Cys 919, Leu 1035, Ile 1044, Phe 1047 | Hie 1026 |
| PV-002215946839 | −72.513 | −123.582 | −14.122 | −638.400 | Cys 919, Cys 1045, Glu 885 | Leu 840, Val 848, Ala 866, Leu 889, Val 916, Cys 919, Leu 1035, Cys 1045, Phe 1047 | Phe 1047 |
| PV-002569833477 | −76.404 | −129.232 | −14.065 | −637.902 | Asp 1046 Cys 919 Glu 885 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Val 898, Val 899, Val 914, Val 916, Phe 918, Cys 919, Leu 1019, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | Lys 868 |
| PV-002109864487 | −64.889 | −104.365 | −13.489 | −637.822 | Asp 1046 Cys 919 Glu 885 | Leu 840, Val 848, Ala 866, Leu 889, Val 899, Val 916, Cys 919, Leu 1019, Ile 1044, Cys 1045, Phe 1047 | Hie 1026 |
| PV-001946374534 | −73.791 | −119.661 | −13.759 | −637.524 | GLU 885 Asp 1046 Cys 919 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Val 899, Val 914, Val 916, Phe 918, Leu 1019, Leu 1035, Cys 1045, Phe 1047 | Hie 1026 |
| PV-002273233325 | −67.973 | −113.097 | −13.057 | −635.841 | Glu 885 Cys 919 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Val 896, Val 899, Val 916, Phe 918, Cys 919, Leu 1019, Leu 1035 Ile 1044, Cys 1045, Phe 1047 | Hie 1026. Asp 1046. Phe 1047 |
| Z1683053210 | −51.809 | −92.257 | −13.859 | −632.286 | Asp 1046 Cys 919 | Leu 840, Val 848, Ala 866, Ile 888, Leu 889, Ile 892, Val 899, Val 916, Phe 918, Cys 919, Leu 1035, Ile 1044, Cys 1045, Phe 1047 | Lys 868 Hie 1026 Phe 1047 |
| Reference molecule | −66.050 | −113.417 | −12.946 | −637.884 | Glu 885 Cys 919 Asp 1046 | Leu 840, Val 848, Ala 866, Lys 868, Glu 885, Ile 888, Leu 889, Ile 892, Val 898, Val 899, Val 916, Glu 917, Phe 918, Cys 919, Glu 922, Hie 1026, Leu 1035, Ile 1044, Cys 1045, Asp 1046, Phe 1047 | … |