Dataset: SRC_LG
Key Value Description Download
Target SRC_LG gene id ###
Name Tyrosine-protein kinase SRC protein name ###
Super-family Kinase protein class ###
PDB ID 3el8 the protein structure in TocoDDB click here
Pocket (x, y, z) 1.91, 5.50, 7.76 the center coordinate of the protein pocket click here
Actives 524 the number of active ligands ###
Topology decoys 26136 the number pf topology decoys click here
Conformation decoys 21895 the number of decoy conformations click here
Decoys 48031 the number of total decoys ###
Total 48555 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 4773 6 15 36 0.774 86.814 76.949 18.077 0.960 0.809 0.889