GUID |
https://w3id.org/psnpbind/variant/720/ligand/CHEMBL2042805 |
PDB ID |
3u9q |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL2042805 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3u9q complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.986301 |
Binding Affinity |
|
Binding Affinities Against Other 3u9q Variants |
|
| RA280H | Conformer 1: -8.2 Kcal/Mol |
| RA280C | Conformer 1: -8.5 Kcal/Mol |
| VA322G | Conformer 1: -6.9 Kcal/Mol |
| LA353V | Conformer 1: -6.5 Kcal/Mol |
| RA357Q | Conformer 1: -7.3 Kcal/Mol |
| FA360L | Conformer 1: -6.5 Kcal/Mol |
| GA361S | Conformer 1: -6.5 Kcal/Mol |
| VA450M | Conformer 1: -6.5 Kcal/Mol |
| VA450G | Conformer 1: -6.8 Kcal/Mol |
| LA465F | Conformer 1: -6.3 Kcal/Mol |
| HA466Y | Conformer 1: -6.6 Kcal/Mol |
| HA466P | Conformer 1: -7.1 Kcal/Mol |
| RA280L | Conformer 1: -6.8 Kcal/Mol |
| GA284S | Conformer 1: -6.1 Kcal/Mol |
| QA286P | Conformer 1: -5.8 Kcal/Mol |
| RA288C | Conformer 1: -8.3 Kcal/Mol |
| RA288H | Conformer 1: -8.0 Kcal/Mol |
| VA290M | Conformer 1: -7.9 Kcal/Mol |
| VA322I | Conformer 1: -6.4 Kcal/Mol |
