Dataset: ERBB2
Key Value Description Download
Target ERBB2 gene id ###
Name Human Epidermal growth factor Receptor 2 protein name ###
Super-family Kinase protein class ###
PDB ID 3pp0 the protein structure in TocoDDB click here
Pocket (x, y, z) 16.71, 15.96, 27.11 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2023 the number pf topology decoys click here
Conformation decoys 740 the number of decoy conformations click here
Decoys 2763 the number of total decoys ###
Total 2803 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 268 1 0 4 0.889 68.250 68.250 21.000 0.999 0.944 1.291