Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: VA392I)
& Ligand (ChEMBL ID: CHEMBL3634580)

GUID

https://w3id.org/psnpbind/variant/179/ligand/CHEMBL3634580

PDB ID

2pog

Variant Type

VA392I

Ligand ID (ChEMBL ID)

CHEMBL3634580

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
0.671875

Binding Affinity

  • Conformer 1: -5.6 Kcal/Mol
    Conformer 2: -5.5 Kcal/Mol
    Conformer 3: -5.3 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -5.8 Kcal/Mol