Dataset: ROCK1
Key Value Description Download
Target ROCK1 gene id ###
Name Rho-associated protein kinase-1 protein name ###
Super-family Kinase protein class ###
PDB ID 3v8s the protein structure in TocoDDB click here
Pocket (x, y, z) -45.52, 2.64, 31.56 the center coordinate of the protein pocket click here
Actives 126 the number of active ligands ###
Topology decoys 6272 the number pf topology decoys click here
Conformation decoys 4220 the number of decoy conformations click here
Decoys 10492 the number of total decoys ###
Total 10618 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 1035 2 3 8 0.762 95.273 76.218 18.322 0.936 0.781 0.912