Protein-ligand Complex:
Protein (PDB ID: 4wiv - Variant: WT)
& Ligand (ChEMBL ID: CHEMBL367171)

GUID

https://w3id.org/psnpbind/variant/722/ligand/CHEMBL367171

PDB ID

4wiv

Variant Type

WT

Ligand ID (ChEMBL ID)

CHEMBL367171

Ligand Similarity* to the one in the experimentally obtained structure of the 4wiv complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.753555

Binding Affinity

  • Conformer 1: -8.9 Kcal/Mol

Binding Affinities Against Other 4wiv Variants

AA89V Conformer 1: -8.4 Kcal/Mol
KA91R Conformer 1: -8.6 Kcal/Mol