Dataset: FA10
Key Value Description Download
Target FA10 gene id ###
Name Coagulation factor X protein name ###
Super-family Protease protein class ###
PDB ID 3kl6 the protein structure in TocoDDB click here
Pocket (x, y, z) 1.75, -8.88, -12.81 the center coordinate of the protein pocket click here
Actives 537 the number of active ligands ###
Topology decoys 26917 the number pf topology decoys click here
Conformation decoys 17966 the number of decoy conformations click here
Decoys 44883 the number of total decoys ###
Total 45420 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 4456 4 5 48 0.914 81.280 83.259 19.679 0.983 0.934 0.983