PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/210/ligand/CHEMBL4116982
PDB ID	4crc
Variant Type	YA172C
Ligand ID (ChEMBL ID)	CHEMBL4116982
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	0.66
Binding Affinity	Conformer 1: -5.8 Kcal/Mol Conformer 2: -5.4 Kcal/Mol Conformer 3: -5.3 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.3 Kcal/Mol