GUID |
https://w3id.org/psnpbind/variant/709/ligand/CHEMBL609469 |
PDB ID |
3jvr |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL609469 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3jvr complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.630597 |
Binding Affinity |
|
Binding Affinities Against Other 3jvr Variants |
|
| LA92F | Conformer 1: 20.3 Kcal/Mol |
| AA203T | Conformer 1: 56.6 Kcal/Mol |
| FA93V | Conformer 1: 4.3 Kcal/Mol |
| IA96V | Conformer 1: 5.4 Kcal/Mol |
| GA101C | Conformer 1: 43.7 Kcal/Mol |
| GA101S | Conformer 1: 22.6 Kcal/Mol |
| IA196T | Conformer 1: 72.0 Kcal/Mol |
| VA197A | Conformer 1: 24.8 Kcal/Mol |
| AA200G | Conformer 1: 11.8 Kcal/Mol |
| MA201V | Conformer 1: 60.3 Kcal/Mol |
