Dataset: TP53
Key Value Description Download
Target TP53 gene id ###
Name Cellular tumor antigen p53 protein name ###
Super-family Other protein class ###
PDB ID 3zme the protein structure in TocoDDB click here
Pocket (x, y, z) 91.58, 94.00, -44.87 the center coordinate of the protein pocket click here
Actives 79 the number of active ligands ###
Topology decoys 3911 the number pf topology decoys click here
Conformation decoys 1647 the number of decoy conformations click here
Decoys 5558 the number of total decoys ###
Total 5637 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 513 12 6 0 0.000 0.000 0.000 3.404 0.700 0.023 0.010