Dataset: PDK1
Key Value Description Download
Target PDK1 gene id ###
Name Pyruvate dehydrogenase kinase, isozyme 1 protein name ###
Super-family Kinase protein class ###
PDB ID 2xch the protein structure in TocoDDB click here
Pocket (x, y, z) -39.52, 17.43, 12.62 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 1963 the number pf topology decoys click here
Conformation decoys 1041 the number of decoy conformations click here
Decoys 3004 the number of total decoys ###
Total 3044 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 298 0 0 4 1.000 75.500 75.500 20.133 1.000 1.000 1.305