Protein-ligand Complex:
Protein (PDB ID: 3b27 - Variant: IA151M)
& Ligand (ChEMBL ID: CHEMBL3229269)

GUID

https://w3id.org/psnpbind/variant/410/ligand/CHEMBL3229269

PDB ID

3b27

Variant Type

IA151M

Ligand ID (ChEMBL ID)

CHEMBL3229269

Ligand Similarity* to the one in the experimentally obtained structure of the 3b27 complex


* Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel
0.609375

Binding Affinity

  • Conformer 1: -5.3 Kcal/Mol
    Conformer 2: -5.3 Kcal/Mol
    Conformer 3: -5.2 Kcal/Mol

Binding Affiniy against the Wild-type protein

WT Conformer 1: -5.3 Kcal/Mol