PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/68/ligand/CHEMBL456226
PDB ID	3utu
Variant Type	TH172S
Ligand ID (ChEMBL ID)	CHEMBL456226
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	0.603448
Binding Affinity	Conformer 1: -9.8 Kcal/Mol Conformer 2: -9.8 Kcal/Mol Conformer 3: -9.5 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -10.1 Kcal/Mol