GUID |
https://w3id.org/psnpbind/variant/16/ligand/CHEMBL399954 |
PDB ID |
3up2 |
Variant Type |
NA146S |
Ligand ID (ChEMBL ID) |
CHEMBL399954 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3up2 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.624 |
Binding Affinity |
|
Binding Affiniy against the Wild-type protein |
|
| WT | Conformer 1: -9.1 Kcal/Mol |
