Dataset: ADRB2
Key Value Description Download
Target ADRB2 gene id ###
Name Beta-2 adrenergic receptor protein name ###
Super-family GPCR protein class ###
PDB ID 3ny8 the protein structure in TocoDDB click here
Pocket (x, y, z) 2.23, 5.02, 51.81 the center coordinate of the protein pocket click here
Actives 267 the number of active ligands ###
Topology decoys 13367 the number pf topology decoys click here
Conformation decoys 8565 the number of decoy conformations click here
Decoys 21932 the number of total decoys ###
Total 22199 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 2131 1 11 15 0.714 74.700 71.143 18.617 0.959 0.721 0.890