GUID |
https://w3id.org/psnpbind/variant/716/ligand/CHEMBL586196 |
PDB ID |
4jia |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL586196 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4jia complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.64 |
Binding Affinity |
|
Binding Affinities Against Other 4jia Variants |
|
| KA857N | Conformer 1: -3.9 Kcal/Mol |
| KA857Q | Conformer 1: -3.9 Kcal/Mol |
| KA912E | Conformer 1: -3.9 Kcal/Mol |
| PA933Q | Conformer 1: -3.9 Kcal/Mol |
| GA935R | Conformer 1: -4.0 Kcal/Mol |
| KA943E | Conformer 1: -3.9 Kcal/Mol |
