Dataset: PLK1
Key Value Description Download
Target PLK1 gene id ###
Name Serine/threonine-protein kinase PLK1 protein name ###
Super-family Kinase protein class ###
PDB ID 2owb the protein structure in TocoDDB click here
Pocket (x, y, z) -0.09, 23.36, 68.10 the center coordinate of the protein pocket click here
Actives 107 the number of active ligands ###
Topology decoys 5328 the number pf topology decoys click here
Conformation decoys 3351 the number of decoy conformations click here
Decoys 8679 the number of total decoys ###
Total 8786 the size of TocoDDB click here
Source DUDE the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 863 2 3 7 0.737 87.500 65.625 18.314 0.991 0.767 0.909