PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/56/ligand/CHEMBL1988437
PDB ID	4twp
Variant Type	FA317I
Ligand ID (ChEMBL ID)	CHEMBL1988437
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	1
Binding Affinity	Conformer 1: -9.7 Kcal/Mol Conformer 2: -9.7 Kcal/Mol Conformer 3: -9.3 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.9 Kcal/Mol