Dataset: CDK2
Key Value Description Download
Target CDK2 gene id ###
Name Cyclin-dependent kinase 2 protein name ###
Super-family Kinase protein class ###
PDB ID 1h00 the protein structure in TocoDDB click here
Pocket (x, y, z) 2.61, 26.32, 8.59 the center coordinate of the protein pocket click here
Actives 478 the number of active ligands ###
Topology decoys 24000 the number pf topology decoys click here
Conformation decoys 16265 the number of decoy conformations click here
Decoys 40265 the number of total decoys ###
Total 40743 the size of TocoDDB click here
Source DUDE, DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 3975 10 14 34 0.739 84.021 69.317 17.139 0.977 0.775 0.857