GUID |
https://w3id.org/psnpbind/variant/729/ligand/CHEMBL2163403 |
PDB ID |
3up2 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL2163403 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3up2 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.605381 |
Binding Affinity |
|
Binding Affinities Against Other 3up2 Variants |
|
RA220G | Conformer 1: -9.1 Kcal/Mol |
RA137C | Conformer 1: -9.3 Kcal/Mol |
AA213G | Conformer 1: -9.9 Kcal/Mol |
AA213V | Conformer 1: -9.2 Kcal/Mol |
LA215P | Conformer 1: -9.2 Kcal/Mol |
LA215R | Conformer 1: -8.8 Kcal/Mol |
KA258N | Conformer 1: -9.4 Kcal/Mol |
KA258E | Conformer 1: -8.4 Kcal/Mol |
KA258T | Conformer 1: -9.6 Kcal/Mol |
RA137G | Conformer 1: -9.6 Kcal/Mol |
RA137H | Conformer 1: -9.4 Kcal/Mol |
GA140A | Conformer 1: -9.2 Kcal/Mol |
GA140D | Conformer 1: -10.0 Kcal/Mol |
NA146S | Conformer 1: -9.1 Kcal/Mol |
LA149M | Conformer 1: -8.7 Kcal/Mol |
KA162T | Conformer 1: -9.9 Kcal/Mol |
YA212C | Conformer 1: -9.6 Kcal/Mol |