Dataset: FPPS
Key Value Description Download
Target FPPS gene id ###
Name Farnesyl diphosphate synthase protein name ###
Super-family Synthase protein class ###
PDB ID 1zw5 the protein structure in TocoDDB click here
Pocket (x, y, z) 15.09, 33.25, -8.18 the center coordinate of the protein pocket click here
Actives 85 the number of active ligands ###
Topology decoys 4277 the number pf topology decoys click here
Conformation decoys 36 the number of decoy conformations click here
Decoys 4313 the number of total decoys ###
Total 4398 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 429 0 0 8 1.000 54.625 54.625 20.810 1.000 1.000 1.202