GUID |
https://w3id.org/psnpbind/variant/692/ligand/CHEMBL3422347 |
PDB ID |
4j21 |
Variant Type |
YA1139C |
Ligand ID (ChEMBL ID) |
CHEMBL3422347 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4j21 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.673077 |
Binding Affinity |
|
Binding Affiniy against the Wild-type protein |
|
| WT | Conformer 1: -6.8 Kcal/Mol |
