PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/236/ligand/CHEMBL4081328
PDB ID	4crc
Variant Type	YA228H
Ligand ID (ChEMBL ID)	CHEMBL4081328
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	0.716279
Binding Affinity	Conformer 1: -9.2 Kcal/Mol Conformer 2: -9.0 Kcal/Mol Conformer 3: -8.8 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -9.5 Kcal/Mol