Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: RA394H)
& Ligand (ChEMBL ID: CHEMBL465620)

GUID

https://w3id.org/psnpbind/variant/180/ligand/CHEMBL465620

PDB ID

2pog

Variant Type

RA394H

Ligand ID (ChEMBL ID)

CHEMBL465620

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
0.767857

Binding Affinity

  • Conformer 1: -9.4 Kcal/Mol
    Conformer 2: -8.0 Kcal/Mol
    Conformer 3: -7.7 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -6.9 Kcal/Mol