PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/440/ligand/CHEMBL123789
PDB ID	3b5r
Variant Type	MA742I
Ligand ID (ChEMBL ID)	CHEMBL123789
Ligand Similarity* to the one in the experimentally obtained structure of the 3b5r complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.643357
Binding Affinity	Conformer 1: -9.3 Kcal/Mol Conformer 2: -9.2 Kcal/Mol Conformer 3: -8.7 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -9.0 Kcal/Mol