PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/544/ligand/CHEMBL259244
PDB ID	3pxf
Variant Type	DA68N
Ligand ID (ChEMBL ID)	CHEMBL259244
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	0.624113
Binding Affinity	Conformer 1: -6.2 Kcal/Mol Conformer 2: -6.2 Kcal/Mol Conformer 3: -5.8 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.0 Kcal/Mol