PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/547/ligand/CHEMBL550950
PDB ID	3pxf
Variant Type	YA77H
Ligand ID (ChEMBL ID)	CHEMBL550950
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	0.816216
Binding Affinity	Conformer 1: -9.2 Kcal/Mol Conformer 2: -8.9 Kcal/Mol Conformer 3: -8.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -9.4 Kcal/Mol