GUID |
https://w3id.org/psnpbind/variant/731/ligand/CHEMBL73460 |
PDB ID |
2weg |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL73460 |
Ligand Similarity* to the one in the experimentally obtained structure of the 2weg complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.733333 |
Binding Affinity |
|
Binding Affinities Against Other 2weg Variants |
|
LA204Q | Conformer 1: -6.6 Kcal/Mol |
WA5L | Conformer 1: -6.6 Kcal/Mol |
LA120F | Conformer 1: -6.4 Kcal/Mol |
HA122Y | Conformer 1: -6.4 Kcal/Mol |
VA143I | Conformer 1: -6.7 Kcal/Mol |
LA144V | Conformer 1: -6.6 Kcal/Mol |
TA200N | Conformer 1: -6.5 Kcal/Mol |
LA203P | Conformer 1: -6.3 Kcal/Mol |
LA204M | Conformer 1: -6.5 Kcal/Mol |
CA206F | Conformer 1: -6.4 Kcal/Mol |
NA244S | Conformer 1: -6.6 Kcal/Mol |
NA67K | Conformer 1: -6.2 Kcal/Mol |
RA246H | Conformer 1: -6.3 Kcal/Mol |
RA246C | Conformer 1: -6.5 Kcal/Mol |
IA91N | Conformer 1: -6.0 Kcal/Mol |
QA92P | Conformer 1: -5.8 Kcal/Mol |
HA94Y | Conformer 1: -5.8 Kcal/Mol |
HA107Y | Conformer 1: -6.5 Kcal/Mol |
HA107P | Conformer 1: -6.2 Kcal/Mol |
LA118F | Conformer 1: -6.5 Kcal/Mol |
LA118I | Conformer 1: -6.5 Kcal/Mol |