PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/125/ligand/CHEMBL178387
PDB ID	1owh
Variant Type	TA53A
Ligand ID (ChEMBL ID)	CHEMBL178387
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	0.675
Binding Affinity	Conformer 1: -5.7 Kcal/Mol Conformer 2: -5.6 Kcal/Mol Conformer 3: -5.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.0 Kcal/Mol