Dataset: LCK
Key Value Description Download
Target LCK gene id ###
Name Lymphocyte-specific protein tyrosine kinase protein name ###
Super-family Kinase protein class ###
PDB ID 3mpm the protein structure in TocoDDB click here
Pocket (x, y, z) 26.11, 12.02, 51.47 the center coordinate of the protein pocket click here
Actives 449 the number of active ligands ###
Topology decoys 22408 the number pf topology decoys click here
Conformation decoys 15006 the number of decoy conformations click here
Decoys 37414 the number of total decoys ###
Total 37863 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 3701 3 20 23 0.667 77.457 65.943 16.776 0.872 0.679 0.831