Dataset: ADRB1
Key Value Description Download
Target ADRB1 gene id ###
Name Beta-1 adrenergic receptor protein name ###
Super-family GPCR protein class ###
PDB ID 2vt4 the protein structure in TocoDDB click here
Pocket (x, y, z) 8.60, 21.68, 23.07 the center coordinate of the protein pocket click here
Actives 247 the number of active ligands ###
Topology decoys 12358 the number pf topology decoys click here
Conformation decoys 8260 the number of decoy conformations click here
Decoys 20618 the number of total decoys ###
Total 20865 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 2043 5 5 19 0.792 86.333 77.700 19.278 0.993 0.876 0.947