Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: EA419D)
& Ligand (ChEMBL ID: CHEMBL180538)

GUID

https://w3id.org/psnpbind/variant/182/ligand/CHEMBL180538

PDB ID

2pog

Variant Type

EA419D

Ligand ID (ChEMBL ID)

CHEMBL180538

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
0.696

Binding Affinity

  • Conformer 1: -8.7 Kcal/Mol
    Conformer 2: -8.6 Kcal/Mol
    Conformer 3: -8.3 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -9.6 Kcal/Mol