PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/164/ligand/CHEMBL366729
PDB ID	2weg
Variant Type	LA118I
Ligand ID (ChEMBL ID)	CHEMBL366729
Ligand Similarity* to the one in the experimentally obtained structure of the 2weg complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.65
Binding Affinity	Conformer 1: -6.3 Kcal/Mol Conformer 2: -5.9 Kcal/Mol Conformer 3: -5.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.4 Kcal/Mol