PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/502/ligand/CHEMBL4098699
PDB ID	2c3i
Variant Type	GB50D
Ligand ID (ChEMBL ID)	CHEMBL4098699
Ligand Similarity* to the one in the experimentally obtained structure of the 2c3i complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.607477
Binding Affinity	Conformer 1: -12.2 Kcal/Mol Conformer 2: -12.1 Kcal/Mol Conformer 3: -11.7 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -11.0 Kcal/Mol