Dataset: LKHA4
Key Value Description Download
Target LKHA4 gene id ###
Name Leukotriene A4 hydrolase protein name ###
Super-family Protease protein class ###
PDB ID 3chp the protein structure in TocoDDB click here
Pocket (x, y, z) 10.23, 40.09, 68.21 the center coordinate of the protein pocket click here
Actives 171 the number of active ligands ###
Topology decoys 8578 the number pf topology decoys click here
Conformation decoys 3590 the number of decoy conformations click here
Decoys 12168 the number of total decoys ###
Total 12339 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 1105 8 2 15 0.750 66.471 66.471 17.805 0.962 0.876 0.995