Dataset: FA7
Key Value Description Download
Target FA7 gene id ###
Name Coagulation factor VII protein name ###
Super-family Protease protein class ###
PDB ID 1w7x the protein structure in TocoDDB click here
Pocket (x, y, z) 10.67, 41.90, 31.69 the center coordinate of the protein pocket click here
Actives 114 the number of active ligands ###
Topology decoys 5673 the number pf topology decoys click here
Conformation decoys 4159 the number of decoy conformations click here
Decoys 9832 the number of total decoys ###
Total 9946 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 980 0 1 10 0.952 90.091 90.091 20.224 1.000 1.000 1.085