PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/625/ligand/CHEMBL1453233
PDB ID	4gr0
Variant Type	NA211K
Ligand ID (ChEMBL ID)	CHEMBL1453233
Ligand Similarity* to the one in the experimentally obtained structure of the 4gr0 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.788732
Binding Affinity	Conformer 1: -7.2 Kcal/Mol Conformer 2: -7.1 Kcal/Mol Conformer 3: -7.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.4 Kcal/Mol