GUID |
https://w3id.org/psnpbind/variant/708/ligand/CHEMBL3453969 |
PDB ID |
4e5w |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL3453969 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4e5w complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.626016 |
Binding Affinity |
|
Binding Affinities Against Other 4e5w Variants |
|
| RA879C | Conformer 1: -8.0 Kcal/Mol |
| KA888Q | Conformer 1: -7.3 Kcal/Mol |
| VA889I | Conformer 1: -7.2 Kcal/Mol |
| FA958C | Conformer 1: -7.4 Kcal/Mol |
| SA961L | Conformer 1: -8.1 Kcal/Mol |
| AA1006T | Conformer 1: -7.7 Kcal/Mol |
| GA1023S | Conformer 1: -8.1 Kcal/Mol |
| PA1044S | Conformer 1: -7.6 Kcal/Mol |
