Compound name

Target protein name

The value of the docking scoring function

Identified pocket of ligand-target protein binding

GRL0617

3CLpro/Mpro-Dimer

-8.21086

Pocket2

C25H22FN4O4

3CLpro/Mpro-Dimer

-9.90902

Pocket1

Remdesivir

3CLpro/Mpro-Dimer

-9.49245

Pocket2

CHEMBL1388469

3CLpro/Mpro-Dimer

-7.64298

Pocket2

CHEMBL1809259

3CLpro/Mpro-Dimer

-9.55744

Pocket1

GC-376

3CLpro/Mpro-Dimer

-8.14954

Pocket2

GS-441524

3CLpro/Mpro-Dimer

-8.16574

Pocket1

Tideglusib

3CLpro/Mpro-Dimer

-8.25794

Pocket1

CHEMBL1809250

3CLpro/Mpro-Dimer

-8.21429

Pocket2

CHEMBL1809251

3CLpro/Mpro-Dimer

-8.25598

Pocket2

Beta-D-N4-Hydroxycytidine

3CLpro/Mpro-Dimer

-7.38478

Pocket2

6-thioguanine

3CLpro/Mpro-Dimer

-5.33091

Pocket1