PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/11/ligand/CHEMBL522598
PDB ID	3up2
Variant Type	RA137C
Ligand ID (ChEMBL ID)	CHEMBL522598
Ligand Similarity* to the one in the experimentally obtained structure of the 3up2 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.639098
Binding Affinity	Conformer 1: -9.6 Kcal/Mol Conformer 2: -9.5 Kcal/Mol Conformer 3: -9.5 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -9.5 Kcal/Mol