GUID |
https://w3id.org/psnpbind/variant/723/ligand/CHEMBL2442412 |
PDB ID |
4j21 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL2442412 |
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 |
0.960526 |
Binding Affinity |
|
Binding Affinities Against Other 4j21 Variants |
|
FA1030V | Conformer 1: -9.8 Kcal/Mol |
SA1066F | Conformer 1: -9.7 Kcal/Mol |
VA1072A | Conformer 1: -9.4 Kcal/Mol |
YA1073H | Conformer 1: -9.1 Kcal/Mol |
GA1077R | Conformer 1: -9.4 Kcal/Mol |
LA1096V | Conformer 1: -9.3 Kcal/Mol |
YA1139C | Conformer 1: -9.4 Kcal/Mol |
YA1139N | Conformer 1: -9.2 Kcal/Mol |
HA1031R | Conformer 1: -8.4 Kcal/Mol |
PA1034H | Conformer 1: -9.2 Kcal/Mol |
PA1034S | Conformer 1: -9.0 Kcal/Mol |
IA1039V | Conformer 1: -9.5 Kcal/Mol |
YA1050C | Conformer 1: -6.4 Kcal/Mol |
IA1051V | Conformer 1: -9.4 Kcal/Mol |
GA1053D | Conformer 1: -6.5 Kcal/Mol |
GA1058S | Conformer 1: -9.1 Kcal/Mol |