GUID |
https://w3id.org/psnpbind/variant/543/ligand/CHEMBL45001 |
PDB ID |
3pxf |
Variant Type |
IA52T |
Ligand ID (ChEMBL ID) |
CHEMBL45001 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3pxf complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.747191 |
Binding Affinity |
|
Binding Affiniy against the Wild-type protein |
|
| WT | Conformer 1: -8.4 Kcal/Mol |
