GUID |
https://w3id.org/psnpbind/variant/707/ligand/CHEMBL450012 |
PDB ID |
2y5h |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL450012 |
Ligand Similarity* to the one in the experimentally obtained structure of the 2y5h complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.802372 |
Binding Affinity |
|
Binding Affinities Against Other 2y5h Variants |
|
| GA218C | Conformer 1: -8.7 Kcal/Mol |
| VA17M | Conformer 1: -7.9 Kcal/Mol |
| RA143C | Conformer 1: -9.2 Kcal/Mol |
| RA143G | Conformer 1: -8.7 Kcal/Mol |
| RA143H | Conformer 1: -8.6 Kcal/Mol |
| EA147K | Conformer 1: -9.4 Kcal/Mol |
| VA160A | Conformer 1: -8.4 Kcal/Mol |
| IA175V | Conformer 1: -8.2 Kcal/Mol |
| MA180V | Conformer 1: -7.2 Kcal/Mol |
| AA190G | Conformer 1: -8.7 Kcal/Mol |
| QA192L | Conformer 1: -8.9 Kcal/Mol |
| GA196R | Conformer 1: -8.0 Kcal/Mol |
| HA57P | Conformer 1: -8.3 Kcal/Mol |
| GA197D | Conformer 1: -7.5 Kcal/Mol |
| GA197S | Conformer 1: -7.4 Kcal/Mol |
| GA197V | Conformer 1: -7.6 Kcal/Mol |
| IA212M | Conformer 1: -8.3 Kcal/Mol |
| VA213I | Conformer 1: -8.2 Kcal/Mol |
| GA216A | Conformer 1: -7.1 Kcal/Mol |
| GA218V | Conformer 1: -8.4 Kcal/Mol |
| CA220F | Conformer 1: -7.4 Kcal/Mol |
| AA221T | Conformer 1: -7.0 Kcal/Mol |
| QA61H | Conformer 1: -6.7 Kcal/Mol |
| RA222C | Conformer 1: -8.5 Kcal/Mol |
| IA227L | Conformer 1: -7.4 Kcal/Mol |
| TA229S | Conformer 1: -7.7 Kcal/Mol |
| TA95I | Conformer 1: -8.0 Kcal/Mol |
| KA96R | Conformer 1: -7.5 Kcal/Mol |
| YA99H | Conformer 1: -8.8 Kcal/Mol |
| DA100H | Conformer 1: -7.3 Kcal/Mol |
| DA102N | Conformer 1: -9.3 Kcal/Mol |
| DA102E | Conformer 1: -9.0 Kcal/Mol |
