Dataset: FXA
Key Value Description Download
Target FXA gene id ###
Name Factor X (prothrombinase) protein name ###
Super-family Protease protein class ###
PDB ID 1f0r the protein structure in TocoDDB click here
Pocket (x, y, z) 7.30, 5.08, 22.23 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2022 the number pf topology decoys click here
Conformation decoys 1709 the number of decoy conformations click here
Decoys 3731 the number of total decoys ###
Total 3771 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 367 3 2 2 0.444 93.500 62.333 10.389 0.964 0.553 0.759