Dataset: TK
Key Value Description Download
Target TK gene id ###
Name Thymidine kinase protein name ###
Super-family Kinase protein class ###
PDB ID 1w4r the protein structure in TocoDDB click here
Pocket (x, y, z) 56.07, 75.87, 3.15 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2034 the number pf topology decoys click here
Conformation decoys 1333 the number of decoy conformations click here
Decoys 3367 the number of total decoys ###
Total 3407 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 303 1 0 3 0.857 102.333 68.222 20.467 0.999 0.903 1.225