GUID |
https://w3id.org/psnpbind/variant/717/ligand/CHEMBL411503 |
PDB ID |
4m0y |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL411503 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4m0y complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.816327 |
Binding Affinity |
|
Binding Affinities Against Other 4m0y Variants |
|
| VA388M | Conformer 1: -8.4 Kcal/Mol |
| GA375A | Conformer 1: -8.5 Kcal/Mol |
| EA436K | Conformer 1: -7.6 Kcal/Mol |
| EA436Q | Conformer 1: -7.1 Kcal/Mol |
| MA438L | Conformer 1: -7.6 Kcal/Mol |
| EA439G | Conformer 1: -7.6 Kcal/Mol |
| HA440Q | Conformer 1: -7.8 Kcal/Mol |
| GA441S | Conformer 1: -7.5 Kcal/Mol |
| DA445E | Conformer 1: -8.2 Kcal/Mol |
| DA445Y | Conformer 1: -8.4 Kcal/Mol |
| NA487K | Conformer 1: -7.9 Kcal/Mol |
| VA377A | Conformer 1: -7.7 Kcal/Mol |
| HA378R | Conformer 1: -7.5 Kcal/Mol |
| HA378N | Conformer 1: -7.7 Kcal/Mol |
| IA390V | Conformer 1: -7.6 Kcal/Mol |
| QA420K | Conformer 1: -7.7 Kcal/Mol |
| VA434G | Conformer 1: -8.1 Kcal/Mol |
| FA435S | Conformer 1: -8.7 Kcal/Mol |
