Dataset: RXRA
Key Value Description Download
Target RXRA gene id ###
Name Retinoid X receptor alpha protein name ###
Super-family Nuclear protein class ###
PDB ID 2p1t the protein structure in TocoDDB click here
Pocket (x, y, z) -2.45, -18.49, 32.16 the center coordinate of the protein pocket click here
Actives 171 the number of active ligands ###
Topology decoys 8546 the number pf topology decoys click here
Conformation decoys 82 the number of decoy conformations click here
Decoys 8628 the number of total decoys ###
Total 8799 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 449 1 0 15 0.968 31.000 31.000 20.217 1.000 1.000 1.189