Dataset: MPRO
Key Value Description Download
Target MPRO gene id ###
Name main protease of SARS-CoV-2 protein name ###
Super-family Protease protein class ###
PDB ID 6m0k the protein structure in TocoDDB click here
Pocket (x, y, z) -11.66, 11.71, 68.79 the center coordinate of the protein pocket click here
Actives 276 the number of active ligands ###
Topology decoys 13937 the number pf topology decoys click here
Conformation decoys 6737 the number of decoy conformations click here
Decoys 20674 the number of total decoys ###
Total 20950 the size of TocoDDB click here
Source Hand the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 0 0 0 0 0.000 0.000 0.000 0.000 0.000 0.000 0.000