PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/81/ligand/CHEMBL123369
PDB ID	3utu
Variant Type	EH217D
Ligand ID (ChEMBL ID)	CHEMBL123369
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	0.62931
Binding Affinity	Conformer 1: -13.3 Kcal/Mol Conformer 2: -13.2 Kcal/Mol Conformer 3: -12.7 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -13.5 Kcal/Mol