PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/18/ligand/CHEMBL493725
PDB ID	3up2
Variant Type	KA162T
Ligand ID (ChEMBL ID)	CHEMBL493725
Ligand Similarity* to the one in the experimentally obtained structure of the 3up2 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.622807
Binding Affinity	Conformer 1: -7.3 Kcal/Mol Conformer 2: -7.3 Kcal/Mol Conformer 3: -7.0 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.5 Kcal/Mol