Dataset: ESR_ANT
Key Value Description Download
Target ESR_ANT gene id ###
Name Estrogen receptor protein name ###
Super-family Nuclear protein class ###
PDB ID 2iog the protein structure in TocoDDB click here
Pocket (x, y, z) 32.51, -1.13, 25.22 the center coordinate of the protein pocket click here
Actives 102 the number of active ligands ###
Topology decoys 5116 the number pf topology decoys click here
Conformation decoys 803 the number of decoy conformations click here
Decoys 5919 the number of total decoys ###
Total 6021 the size of TocoDDB click here
Source LIT-PCBA the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 563 1 8 1 0.182 31.833 12.733 2.274 0.683 0.137 0.213