GUID |
https://w3id.org/psnpbind/variant/719/ligand/CHEMBL3652025 |
PDB ID |
2c3i |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL3652025 |
Ligand Similarity* to the one in the experimentally obtained structure of the 2c3i complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.929412 |
Binding Affinity |
|
Binding Affinities Against Other 2c3i Variants |
|
| YB53H | Conformer 1: -8.7 Kcal/Mol |
| GB45S | Conformer 1: -9.4 Kcal/Mol |
| LB93V | Conformer 1: -8.8 Kcal/Mol |
| LB93Q | Conformer 1: -9.9 Kcal/Mol |
| LB120R | Conformer 1: -9.6 Kcal/Mol |
| EB121D | Conformer 1: -9.5 Kcal/Mol |
| RB122K | Conformer 1: -8.8 Kcal/Mol |
| EB124Q | Conformer 1: -8.5 Kcal/Mol |
| LB184V | Conformer 1: -10.0 Kcal/Mol |
| GB188A | Conformer 1: -10.2 Kcal/Mol |
| GB48D | Conformer 1: -8.7 Kcal/Mol |
| GB50A | Conformer 1: -9.1 Kcal/Mol |
| GB50D | Conformer 1: -9.6 Kcal/Mol |
| SB51L | Conformer 1: -9.3 Kcal/Mol |
| SB51W | Conformer 1: -8.6 Kcal/Mol |
| SB54T | Conformer 1: -9.4 Kcal/Mol |
| PB63L | Conformer 1: -10.1 Kcal/Mol |
