PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/502/ligand/CHEMBL572743
PDB ID	2c3i
Variant Type	GB50D
Ligand ID (ChEMBL ID)	CHEMBL572743
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	0.706349
Binding Affinity	Conformer 1: -7.8 Kcal/Mol Conformer 2: -7.2 Kcal/Mol Conformer 3: -7.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.0 Kcal/Mol