PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/26/ligand/CHEMBL40721
PDB ID	3up2
Variant Type	KA258E
Ligand ID (ChEMBL ID)	CHEMBL40721
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	0.824074
Binding Affinity	Conformer 1: -7.7 Kcal/Mol Conformer 2: -7.4 Kcal/Mol Conformer 3: -7.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.3 Kcal/Mol