GUID |
https://w3id.org/psnpbind/variant/711/ligand/CHEMBL3621551 |
PDB ID |
5c28 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL3621551 |
Ligand Similarity* to the one in the experimentally obtained structure of the 5c28 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.663462 |
Binding Affinity |
|
Binding Affinities Against Other 5c28 Variants |
|
YA514F | Conformer 1: -6.7 Kcal/Mol |
GA718V | Conformer 1: -6.8 Kcal/Mol |
VA723M | Conformer 1: -6.8 Kcal/Mol |
YA728S | Conformer 1: -6.0 Kcal/Mol |
TA623A | Conformer 1: -6.9 Kcal/Mol |
LA625V | Conformer 1: -6.7 Kcal/Mol |
LA665F | Conformer 1: -6.8 Kcal/Mol |
SA667C | Conformer 1: -6.6 Kcal/Mol |
TA678M | Conformer 1: -6.2 Kcal/Mol |
MA704I | Conformer 1: -6.4 Kcal/Mol |
VA712A | Conformer 1: -6.2 Kcal/Mol |
LA717F | Conformer 1: -6.7 Kcal/Mol |