Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: YA526H)
& Ligand (ChEMBL ID: CHEMBL411351)

GUID

https://w3id.org/psnpbind/variant/188/ligand/CHEMBL411351

PDB ID

2pog

Variant Type

YA526H

Ligand ID (ChEMBL ID)

CHEMBL411351

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: -3.7 Kcal/Mol
    Conformer 2: -3.5 Kcal/Mol
    Conformer 3: -2.6 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -0.4 Kcal/Mol