Dataset: PDE4B
Key Value Description Download
Target PDE4B gene id ###
Name Phosphodiesterase Type 4 protein name ###
Super-family Hydrolase protein class ###
PDB ID 3frg the protein structure in TocoDDB click here
Pocket (x, y, z) 47.42, 46.38, 63.41 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1977 the number pf topology decoys click here
Conformation decoys 521 the number of decoy conformations click here
Decoys 2498 the number of total decoys ###
Total 2538 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 243 4 4 0 0.000 0.000 0.000 0.000 0.321 0.012 0.000