Protein-ligand Complex:
Protein (PDB ID: 2pog - Variant: MA421L)
& Ligand (ChEMBL ID: CHEMBL3966716)

GUID

https://w3id.org/psnpbind/variant/183/ligand/CHEMBL3966716

PDB ID

2pog

Variant Type

MA421L

Ligand ID (ChEMBL ID)

CHEMBL3966716

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
0.768116

Binding Affinity

  • Conformer 1: -9.8 Kcal/Mol
    Conformer 2: -8.9 Kcal/Mol
    Conformer 3: -8.2 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -9.9 Kcal/Mol