Protein-ligand Complex:
Protein (PDB ID: 3utu - Variant: RH175C)
& Ligand (ChEMBL ID: CHEMBL189783)

GUID

https://w3id.org/psnpbind/variant/70/ligand/CHEMBL189783

PDB ID

3utu

Variant Type

RH175C

Ligand ID (ChEMBL ID)

CHEMBL189783

Ligand Similarity* to the one in the experimentally obtained structure of the 3utu complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.676471

Binding Affinity

  • Conformer 1: -7.9 Kcal/Mol
    Conformer 2: -7.8 Kcal/Mol
    Conformer 3: -7.5 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -7.7 Kcal/Mol