GUID |
https://w3id.org/psnpbind/variant/630/ligand/CHEMBL429800 |
PDB ID |
4gr0 |
Variant Type |
TA215I |
Ligand ID (ChEMBL ID) |
CHEMBL429800 |
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 |
0.622222 |
Binding Affinity |
|
Binding Affiniy against the Wild-type protein |
|
| WT | Conformer 1: -7.5 Kcal/Mol |
