GUID |
https://w3id.org/psnpbind/variant/723/ligand/CHEMBL2386542 |
PDB ID |
4j21 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL2386542 |
Ligand Similarity* to the one in the experimentally obtained structure of the 4j21 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.705882 |
Binding Affinity |
|
Binding Affinities Against Other 4j21 Variants |
|
| FA1030V | Conformer 1: -10.2 Kcal/Mol |
| SA1066F | Conformer 1: -9.2 Kcal/Mol |
| VA1072A | Conformer 1: -9.5 Kcal/Mol |
| YA1073H | Conformer 1: -9.2 Kcal/Mol |
| GA1077R | Conformer 1: -10.1 Kcal/Mol |
| LA1096V | Conformer 1: -10.1 Kcal/Mol |
| YA1139C | Conformer 1: -10.1 Kcal/Mol |
| YA1139N | Conformer 1: -9.7 Kcal/Mol |
| HA1031R | Conformer 1: -7.4 Kcal/Mol |
| PA1034H | Conformer 1: -9.8 Kcal/Mol |
| PA1034S | Conformer 1: -9.6 Kcal/Mol |
| IA1039V | Conformer 1: -10.3 Kcal/Mol |
| YA1050C | Conformer 1: -6.6 Kcal/Mol |
| IA1051V | Conformer 1: -9.2 Kcal/Mol |
| GA1053D | Conformer 1: -6.3 Kcal/Mol |
| GA1058S | Conformer 1: -7.5 Kcal/Mol |
