GUID |
https://w3id.org/psnpbind/variant/21/ligand/CHEMBL2022116 |
PDB ID |
3up2 |
Variant Type |
AA213V |
Ligand ID (ChEMBL ID) |
CHEMBL2022116 |
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 |
0.760369 |
Binding Affinity |
|
Binding Affiniy against the Wild-type protein |
|
| WT | Conformer 1: -8.8 Kcal/Mol |
