PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/120/ligand/CHEMBL2441142
PDB ID	1owh
Variant Type	IA2S
Ligand ID (ChEMBL ID)	CHEMBL2441142
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	0.64
Binding Affinity	Conformer 1: -7.7 Kcal/Mol Conformer 2: -7.6 Kcal/Mol Conformer 3: -7.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.8 Kcal/Mol