Dataset: FAK1
Key Value Description Download
Target FAK1 gene id ###
Name Focal adhesion kinase 1 protein name ###
Super-family Kinase protein class ###
PDB ID 3bz3 the protein structure in TocoDDB click here
Pocket (x, y, z) 10.24, 2.94, 6.05 the center coordinate of the protein pocket click here
Actives 100 the number of active ligands ###
Topology decoys 5086 the number pf topology decoys click here
Conformation decoys 2837 the number of decoy conformations click here
Decoys 7923 the number of total decoys ###
Total 8023 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 784 4 0 10 0.833 79.800 79.800 20.462 1.000 1.000 1.106