Dataset: HIVINT
Key Value Description Download
Target HIVINT gene id ###
Name Human immunodeficiency virus type 1 integrase protein name ###
Super-family Other protein class ###
PDB ID 3nf7 the protein structure in TocoDDB click here
Pocket (x, y, z) 10.05, -27.03, -10.01 the center coordinate of the protein pocket click here
Actives 100 the number of active ligands ###
Topology decoys 5027 the number pf topology decoys click here
Conformation decoys 835 the number of decoy conformations click here
Decoys 5862 the number of total decoys ###
Total 5962 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 582 1 2 0 0.000 0.000 0.000 10.086 0.794 0.026 0.155