GUID |
https://w3id.org/psnpbind/variant/725/ligand/CHEMBL3560597 |
PDB ID |
4dli |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL3560597 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4dli complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.804124 |
Binding Affinity |
|
Binding Affinities Against Other 4dli Variants |
|
| PA191S | Conformer 1: -3.0 Kcal/Mol |
| EA192Q | Conformer 1: -2.5 Kcal/Mol |
| VA239L | Conformer 1: -2.8 Kcal/Mol |
| VA239F | Conformer 1: -2.9 Kcal/Mol |
| VA239I | Conformer 1: -2.4 Kcal/Mol |
| KA248N | Conformer 1: -3.0 Kcal/Mol |
| SA252L | Conformer 1: -3.1 Kcal/Mol |
| EA253G | Conformer 1: -2.8 Kcal/Mol |
