GUID |
https://w3id.org/psnpbind/variant/712/ligand/CHEMBL3244918 |
PDB ID |
2pog |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL3244918 |
Ligand Similarity* to the one in the experimentally obtained structure of the 2pog complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.604938 |
Binding Affinity |
|
Binding Affinities Against Other 2pog Variants |
|
| NA348S | Conformer 1: -8.3 Kcal/Mol |
| MA517I | Conformer 1: -8.1 Kcal/Mol |
| MA522I | Conformer 1: -7.9 Kcal/Mol |
| YA526H | Conformer 1: -7.0 Kcal/Mol |
| MA388T | Conformer 1: -8.0 Kcal/Mol |
| VA392I | Conformer 1: -7.6 Kcal/Mol |
| RA394H | Conformer 1: -7.6 Kcal/Mol |
| RA394S | Conformer 1: -7.8 Kcal/Mol |
| EA419D | Conformer 1: -7.5 Kcal/Mol |
| MA421L | Conformer 1: -7.3 Kcal/Mol |
| EA423Q | Conformer 1: -7.6 Kcal/Mol |
| DA426N | Conformer 1: -7.5 Kcal/Mol |
