GUID |
https://w3id.org/psnpbind/variant/715/ligand/CHEMBL246494 |
PDB ID |
3fv1 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL246494 |
Ligand Similarity* to the one in the experimentally obtained structure of the 3fv1 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.712121 |
Binding Affinity |
|
Binding Affinities Against Other 3fv1 Variants |
|
| TA505I | Conformer 1: -5.0 Kcal/Mol |
| TA675A | Conformer 1: -5.1 Kcal/Mol |
| RA508W | Conformer 1: -5.0 Kcal/Mol |
| RA508Q | Conformer 1: -5.0 Kcal/Mol |
| LA521V | Conformer 1: -5.0 Kcal/Mol |
| GA522R | Conformer 1: -4.8 Kcal/Mol |
| IA523V | Conformer 1: -4.8 Kcal/Mol |
| YA429F | Conformer 1: -5.0 Kcal/Mol |
| LA526F | Conformer 1: -5.0 Kcal/Mol |
| AA669V | Conformer 1: -4.9 Kcal/Mol |
| AA669G | Conformer 1: -5.1 Kcal/Mol |
| VA670F | Conformer 1: -5.4 Kcal/Mol |
| VA670A | Conformer 1: -5.1 Kcal/Mol |
| DA672E | Conformer 1: -5.4 Kcal/Mol |
| DA672N | Conformer 1: -4.6 Kcal/Mol |
| SA674L | Conformer 1: -5.1 Kcal/Mol |
| TA675I | Conformer 1: -5.2 Kcal/Mol |
| YA474F | Conformer 1: -4.9 Kcal/Mol |
| MA676I | Conformer 1: -4.9 Kcal/Mol |
| VA703I | Conformer 1: -4.8 Kcal/Mol |
| VA703A | Conformer 1: -4.8 Kcal/Mol |
| RA704G | Conformer 1: -4.8 Kcal/Mol |
| MA722I | Conformer 1: -4.9 Kcal/Mol |
| SA724Y | Conformer 1: -4.8 Kcal/Mol |
| TA725I | Conformer 1: -4.8 Kcal/Mol |
| SA726T | Conformer 1: -5.1 Kcal/Mol |
| IA727V | Conformer 1: -4.9 Kcal/Mol |
| GA748S | Conformer 1: -5.2 Kcal/Mol |
| YA474S | Conformer 1: -4.8 Kcal/Mol |
| GA748D | Conformer 1: -5.0 Kcal/Mol |
| GA748V | Conformer 1: -5.1 Kcal/Mol |
| GA750R | Conformer 1: -5.2 Kcal/Mol |
| AA476T | Conformer 1: -4.9 Kcal/Mol |
| AA476D | Conformer 1: -4.7 Kcal/Mol |
| AA500S | Conformer 1: -5.1 Kcal/Mol |
| PA501L | Conformer 1: -4.7 Kcal/Mol |
| LA502V | Conformer 1: -5.0 Kcal/Mol |
| IA424T | Conformer 1: -5.2 Kcal/Mol |
| IA504N | Conformer 1: -4.8 Kcal/Mol |
| IA504T | Conformer 1: -4.7 Kcal/Mol |
| TA505A | Conformer 1: -4.9 Kcal/Mol |
| TA505N | Conformer 1: -4.9 Kcal/Mol |
