GUID |
https://w3id.org/psnpbind/variant/616/ligand/CHEMBL21182 |
PDB ID |
4gr0 |
Variant Type |
IA180V |
Ligand ID (ChEMBL ID) |
CHEMBL21182 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4gr0 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.691667 |
Binding Affinity |
|
Binding Affiniy against the Wild-type protein |
|
| WT | Conformer 1: -7.2 Kcal/Mol |
