PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/83/ligand/CHEMBL572368
PDB ID	3utu
Variant Type	DH221E
Ligand ID (ChEMBL ID)	CHEMBL572368
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	0.645455
Binding Affinity	Conformer 1: -9.9 Kcal/Mol Conformer 2: -9.5 Kcal/Mol Conformer 3: -9.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -11.5 Kcal/Mol