Dataset: KPCB
Key Value Description Download
Target KPCB gene id ###
Name Protein kinase C beta protein name ###
Super-family Kinase protein class ###
PDB ID 2i0e the protein structure in TocoDDB click here
Pocket (x, y, z) 39.29, 55.46, 34.33 the center coordinate of the protein pocket click here
Actives 171 the number of active ligands ###
Topology decoys 8498 the number pf topology decoys click here
Conformation decoys 6478 the number of decoy conformations click here
Decoys 14976 the number of total decoys ###
Total 15147 the size of TocoDDB click here
Source DUDE, DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 1469 0 5 10 0.800 98.933 70.667 13.369 0.892 0.681 0.794