Protein-ligand Complex:
Protein (PDB ID: 1owh - Variant: RA233H)
& Ligand (ChEMBL ID: CHEMBL3554860)

GUID

https://w3id.org/psnpbind/variant/148/ligand/CHEMBL3554860

PDB ID

1owh

Variant Type

RA233H

Ligand ID (ChEMBL ID)

CHEMBL3554860

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
0.627907

Binding Affinity

  • Conformer 1: -6.1 Kcal/Mol
    Conformer 2: -6.1 Kcal/Mol
    Conformer 3: -5.2 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -5.9 Kcal/Mol