GUID |
https://w3id.org/psnpbind/variant/710/ligand/CHEMBL533161 |
PDB ID |
3b27 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL533161 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3b27 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.621622 |
Binding Affinity |
|
Binding Affinities Against Other 3b27 Variants |
|
| KA58R | Conformer 1: -7.2 Kcal/Mol |
| LA48P | Conformer 1: -6.9 Kcal/Mol |
| TA94I | Conformer 1: -7.1 Kcal/Mol |
| LA107V | Conformer 1: -6.8 Kcal/Mol |
| TA149A | Conformer 1: -6.4 Kcal/Mol |
| TA149I | Conformer 1: -7.0 Kcal/Mol |
| IA151M | Conformer 1: -6.3 Kcal/Mol |
| IA151V | Conformer 1: -6.8 Kcal/Mol |
| TA152I | Conformer 1: -6.9 Kcal/Mol |
| TA152A | Conformer 1: -6.8 Kcal/Mol |
| HA154R | Conformer 1: -6.1 Kcal/Mol |
| HA154Y | Conformer 1: -7.1 Kcal/Mol |
| IA49V | Conformer 1: -5.8 Kcal/Mol |
| VA186I | Conformer 1: -6.3 Kcal/Mol |
| IA59M | Conformer 1: -6.5 Kcal/Mol |
| IA59L | Conformer 1: -6.5 Kcal/Mol |
| IA59V | Conformer 1: -6.4 Kcal/Mol |
| IA59T | Conformer 1: -6.7 Kcal/Mol |
| IA91V | Conformer 1: -5.9 Kcal/Mol |
| VA92M | Conformer 1: -6.6 Kcal/Mol |
