Dataset: PKM2
Key Value Description Download
Target PKM2 gene id ###
Name Pyruvate kinase muscle isoform 2 protein name ###
Super-family Kinase protein class ###
PDB ID 3me3 the protein structure in TocoDDB click here
Pocket (x, y, z) 8.95, 2.95, 13.77 the center coordinate of the protein pocket click here
Actives 546 the number of active ligands ###
Topology decoys 27298 the number pf topology decoys click here
Conformation decoys 10342 the number of decoy conformations click here
Decoys 37640 the number of total decoys ###
Total 38186 the size of TocoDDB click here
Source LIT-PCBA the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 3732 7 31 23 0.548 54.632 51.257 13.379 0.875 0.519 0.676