PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/545/ligand/CHEMBL1625555
PDB ID	3pxf
Variant Type	IA70L
Ligand ID (ChEMBL ID)	CHEMBL1625555
Ligand Similarity* to the one in the experimentally obtained structure of the 3pxf complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.616915
Binding Affinity	Conformer 1: -8.1 Kcal/Mol Conformer 2: -7.3 Kcal/Mol Conformer 3: -7.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.0 Kcal/Mol