Table 4.

The IFD Glide score and QPLD in kcal/mol score of leads and reference molecule (PDB ID: 4FFS) from IFD. Scores of reference molecule and hit ZINC00490333 given in bold

ZINC subset	Glide G score	IFD score	Qpld
00490333	− 13.987	− 483.84	− 13.225
14138066	− 13.801	− 501.97	− 13.203
15377615	− 12.747	− 501.49	− 12.524
00040150	− 12.359	− 483.14	− 12.066
15376886	− 12.220	− 499.75	11.141
4FFS	− 16.307	− 506.168	− 16.898