GUID |
https://w3id.org/psnpbind/variant/714/ligand/CHEMBL123337 |
PDB ID |
3pxf |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL123337 |
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 |
0.754717 |
Binding Affinity |
|
Binding Affinities Against Other 3pxf Variants |
|
| RA36L | Conformer 1: -9.4 Kcal/Mol |
| RA36H | Conformer 1: -9.6 Kcal/Mol |
| IA52T | Conformer 1: -9.3 Kcal/Mol |
| DA68N | Conformer 1: -8.3 Kcal/Mol |
| IA70L | Conformer 1: -9.6 Kcal/Mol |
| IA70T | Conformer 1: -9.8 Kcal/Mol |
| YA77H | Conformer 1: -9.8 Kcal/Mol |
| VA79G | Conformer 1: -9.5 Kcal/Mol |
| VA154I | Conformer 1: -9.7 Kcal/Mol |
