GUID |
https://w3id.org/psnpbind/variant/730/ligand/CHEMBL172980 |
PDB ID |
3udh |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL172980 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3udh complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.638095 |
Binding Affinity |
|
Binding Affinities Against Other 3udh Variants |
|
| DA32G | Conformer 1: -6.7 Kcal/Mol |
| TA33I | Conformer 1: -5.8 Kcal/Mol |
| GA230S | Conformer 1: -6.4 Kcal/Mol |
| GA230D | Conformer 1: -5.9 Kcal/Mol |
