GUID |
https://w3id.org/psnpbind/variant/710/ligand/CHEMBL1445960 |
PDB ID |
3b27 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL1445960 |
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 |
0.725 |
Binding Affinity |
|
Binding Affinities Against Other 3b27 Variants |
|
KA58R | Conformer 1: -8.0 Kcal/Mol |
LA48P | Conformer 1: -8.0 Kcal/Mol |
TA94I | Conformer 1: -7.9 Kcal/Mol |
LA107V | Conformer 1: -8.9 Kcal/Mol |
TA149A | Conformer 1: -7.3 Kcal/Mol |
TA149I | Conformer 1: -7.9 Kcal/Mol |
IA151M | Conformer 1: -8.0 Kcal/Mol |
IA151V | Conformer 1: -7.3 Kcal/Mol |
TA152I | Conformer 1: -7.7 Kcal/Mol |
TA152A | Conformer 1: -7.1 Kcal/Mol |
HA154R | Conformer 1: -8.2 Kcal/Mol |
HA154Y | Conformer 1: -7.8 Kcal/Mol |
IA49V | Conformer 1: -7.7 Kcal/Mol |
VA186I | Conformer 1: -6.6 Kcal/Mol |
IA59M | Conformer 1: -7.3 Kcal/Mol |
IA59L | Conformer 1: -7.7 Kcal/Mol |
IA59V | Conformer 1: -7.4 Kcal/Mol |
IA59T | Conformer 1: -7.4 Kcal/Mol |
IA91V | Conformer 1: -7.2 Kcal/Mol |
VA92M | Conformer 1: -7.4 Kcal/Mol |