PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/120/ligand/CHEMBL533335
PDB ID	1owh
Variant Type	IA2S
Ligand ID (ChEMBL ID)	CHEMBL533335
Ligand Similarity* to the one in the experimentally obtained structure of the 1owh complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.625
Binding Affinity	Conformer 1: -3.9 Kcal/Mol Conformer 2: -3.9 Kcal/Mol Conformer 3: -3.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -4.1 Kcal/Mol