PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/499/ligand/CHEMBL1401782
PDB ID	2c3i
Variant Type	GB45S
Ligand ID (ChEMBL ID)	CHEMBL1401782
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	0.62
Binding Affinity	Conformer 1: -7.3 Kcal/Mol Conformer 2: -7.1 Kcal/Mol Conformer 3: -6.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.8 Kcal/Mol