Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: MA517I)
& Ligand (ChEMBL ID: CHEMBL3586106)

GUID

https://w3id.org/psnpbind/variant/186/ligand/CHEMBL3586106

PDB ID

2pog

Variant Type

MA517I

Ligand ID (ChEMBL ID)

CHEMBL3586106

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
0.61194

Binding Affinity

  • Conformer 1: -8.7 Kcal/Mol
    Conformer 2: -7.6 Kcal/Mol
    Conformer 3: -7.4 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -8.5 Kcal/Mol