PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/68/ligand/CHEMBL1897502
PDB ID	3utu
Variant Type	TH172S
Ligand ID (ChEMBL ID)	CHEMBL1897502
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	0.636364
Binding Affinity	Conformer 1: -12.2 Kcal/Mol Conformer 2: -11.9 Kcal/Mol Conformer 3: -11.4 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -12.8 Kcal/Mol