PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/125/ligand/CHEMBL3091849
PDB ID	1owh
Variant Type	TA53A
Ligand ID (ChEMBL ID)	CHEMBL3091849
Ligand Similarity* to the one in the experimentally obtained structure of the 1owh complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.75
Binding Affinity	Conformer 1: -6.6 Kcal/Mol Conformer 2: -6.5 Kcal/Mol Conformer 3: -5.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.4 Kcal/Mol