Dataset: MAPK1
Key Value Description Download
Target MAPK1 gene id ###
Name Mitogen-activated protein kinase 1 protein name ###
Super-family Kinase protein class ###
PDB ID 4qte the protein structure in TocoDDB click here
Pocket (x, y, z) 23.28, 69.54, 23.47 the center coordinate of the protein pocket click here
Actives 308 the number of active ligands ###
Topology decoys 15430 the number pf topology decoys click here
Conformation decoys 9454 the number of decoy conformations click here
Decoys 24884 the number of total decoys ###
Total 25192 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 2463 10 19 6 0.293 49.960 33.307 16.116 0.934 0.344 0.543