Protein-ligand Complex:
Protein (PDB ID: 1owh - Variant: GA209E)
& Ligand (ChEMBL ID: CHEMBL31561)

GUID

https://w3id.org/psnpbind/variant/142/ligand/CHEMBL31561

PDB ID

1owh

Variant Type

GA209E

Ligand ID (ChEMBL ID)

CHEMBL31561

Ligand Similarity* to the one in the experimentally obtained structure of the 1owh complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.684211

Binding Affinity

  • Conformer 1: -4.1 Kcal/Mol
    Conformer 2: -4.1 Kcal/Mol
    Conformer 3: -4.0 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -4.5 Kcal/Mol