PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/37/ligand/CHEMBL1172543
PDB ID	4twp
Variant Type	KA247R
Ligand ID (ChEMBL ID)	CHEMBL1172543
Ligand Similarity* to the one in the experimentally obtained structure of the 4twp complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.721649
Binding Affinity	Conformer 1: -10.3 Kcal/Mol Conformer 2: -9.7 Kcal/Mol Conformer 3: -9.7 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -10.2 Kcal/Mol