Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: DA426N)
& Ligand (ChEMBL ID: CHEMBL3753971)

GUID

https://w3id.org/psnpbind/variant/185/ligand/CHEMBL3753971

PDB ID

2pog

Variant Type

DA426N

Ligand ID (ChEMBL ID)

CHEMBL3753971

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
1

Binding Affinity

  • Conformer 1: -11.0 Kcal/Mol
    Conformer 2: -10.6 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -10.9 Kcal/Mol