GUID |
https://w3id.org/psnpbind/variant/709/ligand/CHEMBL239591 |
PDB ID |
3jvr |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL239591 |
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 |
0.638767 |
Binding Affinity |
|
Binding Affinities Against Other 3jvr Variants |
|
| LA92F | Conformer 1: -5.3 Kcal/Mol |
| AA203T | Conformer 1: -5.5 Kcal/Mol |
| FA93V | Conformer 1: -6.4 Kcal/Mol |
| IA96V | Conformer 1: -6.1 Kcal/Mol |
| GA101C | Conformer 1: -5.7 Kcal/Mol |
| GA101S | Conformer 1: -6.0 Kcal/Mol |
| IA196T | Conformer 1: -5.1 Kcal/Mol |
| VA197A | Conformer 1: -5.0 Kcal/Mol |
| AA200G | Conformer 1: -5.2 Kcal/Mol |
| MA201V | Conformer 1: -6.0 Kcal/Mol |
