Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: MA517I)
& Ligand (ChEMBL ID: CHEMBL3357510)

GUID

https://w3id.org/psnpbind/variant/186/ligand/CHEMBL3357510

PDB ID

2pog

Variant Type

MA517I

Ligand ID (ChEMBL ID)

CHEMBL3357510

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
0.720721

Binding Affinity

  • Conformer 1: -7.3 Kcal/Mol
    Conformer 2: -7.3 Kcal/Mol
    Conformer 3: -7.1 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -7.6 Kcal/Mol