Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: MA517I)
& Ligand (ChEMBL ID: CHEMBL1972531)

GUID

https://w3id.org/psnpbind/variant/186/ligand/CHEMBL1972531

PDB ID

2pog

Variant Type

MA517I

Ligand ID (ChEMBL ID)

CHEMBL1972531

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
0.609195

Binding Affinity

  • Conformer 1: -2.6 Kcal/Mol
    Conformer 2: -2.4 Kcal/Mol
    Conformer 3: -2.3 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -2.7 Kcal/Mol