Dataset: FNTA
Key Value Description Download
Target FNTA gene id ###
Name Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit protein name ###
Super-family Transferase protein class ###
PDB ID 3e37 the protein structure in TocoDDB click here
Pocket (x, y, z) 16.77, -73.85, 3.85 the center coordinate of the protein pocket click here
Actives 592 the number of active ligands ###
Topology decoys 29614 the number pf topology decoys click here
Conformation decoys 23098 the number of decoy conformations click here
Decoys 52712 the number of total decoys ###
Total 53304 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 5214 6 22 36 0.720 91.000 70.000 16.954 0.928 0.746 0.833