Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: MA522I)
& Ligand (ChEMBL ID: CHEMBL447023)

GUID

https://w3id.org/psnpbind/variant/187/ligand/CHEMBL447023

PDB ID

2pog

Variant Type

MA522I

Ligand ID (ChEMBL ID)

CHEMBL447023

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
0.739496

Binding Affinity

  • Conformer 1: -6.7 Kcal/Mol
    Conformer 2: -6.3 Kcal/Mol
    Conformer 3: -6.0 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -6.5 Kcal/Mol