PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/121/ligand/CHEMBL2362013
PDB ID	1owh
Variant Type	IA2F
Ligand ID (ChEMBL ID)	CHEMBL2362013
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	0.77193
Binding Affinity	Conformer 1: -5.6 Kcal/Mol Conformer 2: -5.4 Kcal/Mol Conformer 3: -5.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -5.8 Kcal/Mol