Dataset: CTSK
Key Value Description Download
Target CTSK gene id ###
Name Cathepsin K protein name ###
Super-family Protease protein class ###
PDB ID 3kx1 the protein structure in TocoDDB click here
Pocket (x, y, z) -17.19, 13.97, -1.75 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1983 the number pf topology decoys click here
Conformation decoys 1498 the number of decoy conformations click here
Decoys 3481 the number of total decoys ###
Total 3521 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 346 0 3 1 0.400 87.500 29.167 10.294 0.967 0.358 0.491