Dataset: GRIK1
Key Value Description Download
Target GRIK1 gene id ###
Name Glutamate receptor ionotropic kainate 1 protein name ###
Super-family Ion protein class ###
PDB ID 1vso the protein structure in TocoDDB click here
Pocket (x, y, z) 39.72, 5.79, 6.96 the center coordinate of the protein pocket click here
Actives 101 the number of active ligands ###
Topology decoys 5071 the number pf topology decoys click here
Conformation decoys 3743 the number of decoy conformations click here
Decoys 8814 the number of total decoys ###
Total 8915 the size of TocoDDB click here
Source DUDE the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 878 1 5 4 0.571 74.000 74.000 20.182 0.997 0.725 0.938