PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/688/ligand/CHEMBL383336
PDB ID	4j21
Variant Type	VA1072A
Ligand ID (ChEMBL ID)	CHEMBL383336
Ligand Similarity* to the one in the experimentally obtained structure of the 4j21 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.764706
Binding Affinity	Conformer 1: -11.9 Kcal/Mol Conformer 2: -11.3 Kcal/Mol Conformer 3: -11.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -11.5 Kcal/Mol