Protein-ligand Complex:
Protein (PDB ID: 2y5h - Variant: VA17M)
& Ligand (ChEMBL ID: CHEMBL379397)

GUID

https://w3id.org/psnpbind/variant/87/ligand/CHEMBL379397

PDB ID

2y5h

Variant Type

VA17M

Ligand ID (ChEMBL ID)

CHEMBL379397

Ligand Similarity* to the one in the experimentally obtained structure of the 2y5h complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.619565

Binding Affinity

  • Conformer 1: -12.3 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -10.7 Kcal/Mol