GUID |
https://w3id.org/psnpbind/variant/711/ligand/CHEMBL80800 |
PDB ID |
5c28 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL80800 |
Ligand Similarity* to the one in the experimentally obtained structure of the 5c28 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.606557 |
Binding Affinity |
|
Binding Affinities Against Other 5c28 Variants |
|
| YA514F | Conformer 1: -6.1 Kcal/Mol |
| GA718V | Conformer 1: -6.1 Kcal/Mol |
| VA723M | Conformer 1: -6.1 Kcal/Mol |
| YA728S | Conformer 1: -6.1 Kcal/Mol |
| TA623A | Conformer 1: -5.7 Kcal/Mol |
| LA625V | Conformer 1: -5.9 Kcal/Mol |
| LA665F | Conformer 1: -6.1 Kcal/Mol |
| SA667C | Conformer 1: -6.0 Kcal/Mol |
| TA678M | Conformer 1: -6.2 Kcal/Mol |
| MA704I | Conformer 1: -6.5 Kcal/Mol |
| VA712A | Conformer 1: -6.0 Kcal/Mol |
| LA717F | Conformer 1: -6.0 Kcal/Mol |
