PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/506/ligand/CHEMBL3687484
PDB ID	2c3i
Variant Type	SB54T
Ligand ID (ChEMBL ID)	CHEMBL3687484
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	0.80203
Binding Affinity	Conformer 1: -9.6 Kcal/Mol Conformer 2: -9.5 Kcal/Mol Conformer 3: -9.3 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -9.4 Kcal/Mol