Dataset: VGFR2
Key Value Description Download
Target VGFR2 gene id ###
Name Vascular endothelial growth factor rec. 2 protein name ###
Super-family Kinase protein class ###
PDB ID 3c7q the protein structure in TocoDDB click here
Pocket (x, y, z) 20.75, 67.84, 29.94 the center coordinate of the protein pocket click here
Actives 430 the number of active ligands ###
Topology decoys 21466 the number pf topology decoys click here
Conformation decoys 16261 the number of decoy conformations click here
Decoys 37727 the number of total decoys ###
Total 38157 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 3744 7 10 31 0.785 92.488 74.990 17.617 0.973 0.820 0.899