GUID |
https://w3id.org/psnpbind/variant/721/ligand/CHEMBL1444558 |
PDB ID |
4gr0 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL1444558 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4gr0 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.623762 |
Binding Affinity |
|
Binding Affinities Against Other 4gr0 Variants |
|
| AA216G | Conformer 1: -8.8 Kcal/Mol |
| HA218Q | Conformer 1: -7.7 Kcal/Mol |
| EA219K | Conformer 1: -8.9 Kcal/Mol |
| IA220L | Conformer 1: -9.1 Kcal/Mol |
| IA220T | Conformer 1: -9.1 Kcal/Mol |
| SA229T | Conformer 1: -8.7 Kcal/Mol |
| KA233T | Conformer 1: -9.0 Kcal/Mol |
| AA234S | Conformer 1: -8.9 Kcal/Mol |
| GA178V | Conformer 1: -8.7 Kcal/Mol |
| VA235I | Conformer 1: -8.6 Kcal/Mol |
| FA237C | Conformer 1: -8.8 Kcal/Mol |
| KA241R | Conformer 1: -9.3 Kcal/Mol |
| TA247I | Conformer 1: -8.7 Kcal/Mol |
| RA249C | Conformer 1: -8.9 Kcal/Mol |
| RA249H | Conformer 1: -9.0 Kcal/Mol |
| RA249S | Conformer 1: -9.0 Kcal/Mol |
| SA251F | Conformer 1: -8.8 Kcal/Mol |
| GA178C | Conformer 1: -9.1 Kcal/Mol |
| GA179E | Conformer 1: -9.0 Kcal/Mol |
| IA180V | Conformer 1: -8.5 Kcal/Mol |
| LA181V | Conformer 1: -8.7 Kcal/Mol |
| FA185L | Conformer 1: -9.0 Kcal/Mol |
| HA172Q | Conformer 1: -8.8 Kcal/Mol |
| HA196R | Conformer 1: -9.0 Kcal/Mol |
| DA198N | Conformer 1: -8.9 Kcal/Mol |
| DA198H | Conformer 1: -8.9 Kcal/Mol |
| EA201K | Conformer 1: -9.0 Kcal/Mol |
| WA203R | Conformer 1: -8.7 Kcal/Mol |
| NA211K | Conformer 1: -8.7 Kcal/Mol |
| NA211I | Conformer 1: -8.8 Kcal/Mol |
| FA213V | Conformer 1: -8.8 Kcal/Mol |
| FA213L | Conformer 1: -8.8 Kcal/Mol |
| LA214P | Conformer 1: -8.4 Kcal/Mol |
| AA173V | Conformer 1: -9.0 Kcal/Mol |
| TA215I | Conformer 1: -7.5 Kcal/Mol |
| TA215S | Conformer 1: -8.8 Kcal/Mol |
