GUID |
https://w3id.org/psnpbind/variant/718/ligand/CHEMBL124822 |
PDB ID |
2hb1 |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL124822 |
Ligand Similarity* to the one in the experimentally obtained structure of the 2hb1 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.611111 |
Binding Affinity |
|
Binding Affinities Against Other 2hb1 Variants |
|
| MA258I | Conformer 1: -6.0 Kcal/Mol |
| YA46H | Conformer 1: -6.2 Kcal/Mol |
| AA217T | Conformer 1: -6.0 Kcal/Mol |
| IA219T | Conformer 1: -6.6 Kcal/Mol |
| GA220D | Conformer 1: -5.9 Kcal/Mol |
| SA222A | Conformer 1: -6.1 Kcal/Mol |
| SA222C | Conformer 1: -5.8 Kcal/Mol |
| RA257W | Conformer 1: -6.2 Kcal/Mol |
| RA257Q | Conformer 1: -6.1 Kcal/Mol |
| RA47K | Conformer 1: -5.8 Kcal/Mol |
| DA48Y | Conformer 1: -6.1 Kcal/Mol |
| VA49I | Conformer 1: -6.1 Kcal/Mol |
| RA112G | Conformer 1: -6.2 Kcal/Mol |
| EA115Q | Conformer 1: -5.8 Kcal/Mol |
| KA116R | Conformer 1: -5.9 Kcal/Mol |
| SA118L | Conformer 1: -6.0 Kcal/Mol |
| PA180S | Conformer 1: -6.1 Kcal/Mol |
