Dataset: FABP4
Key Value Description Download
Target FABP4 gene id ###
Name Fatty acid binding protein adipocyte protein name ###
Super-family Miscellaneous protein class ###
PDB ID 2nnq the protein structure in TocoDDB click here
Pocket (x, y, z) 4.42, 7.61, 17.55 the center coordinate of the protein pocket click here
Actives 47 the number of active ligands ###
Topology decoys 2335 the number pf topology decoys click here
Conformation decoys 384 the number of decoy conformations click here
Decoys 2719 the number of total decoys ###
Total 2766 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 241 2 0 4 0.800 61.750 61.750 20.583 0.997 0.835 1.213