Dataset: SARS-HCOV
Key Value Description Download
Target SARS-HCOV gene id ###
Name SARS Coronavirus 3C-like Protease protein name ###
Super-family Protease protein class ###
PDB ID 2z94 the protein structure in TocoDDB click here
Pocket (x, y, z) 18.60, -4.37, 25.80 the center coordinate of the protein pocket click here
Actives 39 the number of active ligands ###
Topology decoys 1953 the number pf topology decoys click here
Conformation decoys 580 the number of decoy conformations click here
Decoys 2533 the number of total decoys ###
Total 2572 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 251 0 2 0 0.000 0.000 0.000 0.000 0.713 0.017 0.001