Dataset: PA2GA
Key Value Description Download
Target PA2GA gene id ###
Name Phospholipase A2 group IIA protein name ###
Super-family Phospholipase protein class ###
PDB ID 1kvo the protein structure in TocoDDB click here
Pocket (x, y, z) -39.90, 63.93, 34.08 the center coordinate of the protein pocket click here
Actives 99 the number of active ligands ###
Topology decoys 4897 the number pf topology decoys click here
Conformation decoys 1101 the number of decoy conformations click here
Decoys 5998 the number of total decoys ###
Total 6097 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 595 1 1 8 0.889 67.222 67.222 20.167 0.999 0.971 1.119