GUID |
https://w3id.org/psnpbind/variant/709/ligand/CHEMBL607549 |
PDB ID |
3jvr |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL607549 |
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 |
0.623616 |
Binding Affinity |
|
Binding Affinities Against Other 3jvr Variants |
|
| LA92F | Conformer 1: 94.9 Kcal/Mol |
| AA203T | Conformer 1: 53.9 Kcal/Mol |
| FA93V | Conformer 1: 36.9 Kcal/Mol |
| IA96V | Conformer 1: 51.8 Kcal/Mol |
| GA101C | Conformer 1: 96.3 Kcal/Mol |
| GA101S | Conformer 1: 62.0 Kcal/Mol |
| IA196T | Conformer 1: 92.4 Kcal/Mol |
| VA197A | Conformer 1: 59.1 Kcal/Mol |
| AA200G | Conformer 1: 58.0 Kcal/Mol |
| MA201V | Conformer 1: 58.8 Kcal/Mol |
