PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/224/ligand/CHEMBL2382074
PDB ID	4crc
Variant Type	TA213R
Ligand ID (ChEMBL ID)	CHEMBL2382074
Ligand Similarity* to the one in the experimentally obtained structure of the 4crc complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.625806
Binding Affinity	Conformer 1: -6.7 Kcal/Mol Conformer 2: -6.3 Kcal/Mol Conformer 3: -6.3 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.2 Kcal/Mol