Dataset: EGFR
Key Value Description Download
Target EGFR gene id ###
Name Epidermal growth factor receptor erbB1 protein name ###
Super-family Kinase protein class ###
PDB ID 2rgp the protein structure in TocoDDB click here
Pocket (x, y, z) 16.80, 34.52, 91.29 the center coordinate of the protein pocket click here
Actives 578 the number of active ligands ###
Topology decoys 28854 the number pf topology decoys click here
Conformation decoys 14753 the number of decoy conformations click here
Decoys 43607 the number of total decoys ###
Total 44185 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 4336 1 19 39 0.796 75.776 72.251 17.300 0.882 0.811 0.893