Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: VA392I)
& Ligand (ChEMBL ID: CHEMBL4102248)

GUID

https://w3id.org/psnpbind/variant/179/ligand/CHEMBL4102248

PDB ID

2pog

Variant Type

VA392I

Ligand ID (ChEMBL ID)

CHEMBL4102248

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
0.661654

Binding Affinity

  • Conformer 1: -5.3 Kcal/Mol
    Conformer 2: -4.2 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -7.2 Kcal/Mol