PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/36/ligand/CHEMBL2064565
PDB ID	4twp
Variant Type	HA246D
Ligand ID (ChEMBL ID)	CHEMBL2064565
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	0.698276
Binding Affinity	Conformer 1: -7.8 Kcal/Mol Conformer 2: -7.7 Kcal/Mol Conformer 3: -7.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.7 Kcal/Mol