PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/172/ligand/CHEMBL381544
PDB ID	2weg
Variant Type	LA204M
Ligand ID (ChEMBL ID)	CHEMBL381544
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	0.76
Binding Affinity	Conformer 1: -7.3 Kcal/Mol Conformer 2: -6.9 Kcal/Mol Conformer 3: -6.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.5 Kcal/Mol