Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: YA526H)
& Ligand (ChEMBL ID: CHEMBL108085)

GUID

https://w3id.org/psnpbind/variant/188/ligand/CHEMBL108085

PDB ID

2pog

Variant Type

YA526H

Ligand ID (ChEMBL ID)

CHEMBL108085

Ligand Similarity* to the one in the experimentally obtained structure of the 2pog complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.617021

Binding Affinity

  • Conformer 1: -7.0 Kcal/Mol
    Conformer 2: -6.5 Kcal/Mol
    Conformer 3: -6.5 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -6.7 Kcal/Mol