GUID |
https://w3id.org/psnpbind/variant/726/ligand/CHEMBL2204726 |
PDB ID |
1owh |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL2204726 |
Ligand Similarity* to the one in the experimentally obtained structure of the 1owh complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.662162 |
Binding Affinity |
|
Binding Affinities Against Other 1owh Variants |
|
| AA198P | Conformer 1: -8.1 Kcal/Mol |
| TA204R | Conformer 1: -7.7 Kcal/Mol |
| QA208L | Conformer 1: -8.2 Kcal/Mol |
| GA209V | Conformer 1: -7.7 Kcal/Mol |
| GA209E | Conformer 1: -7.5 Kcal/Mol |
| GA209R | Conformer 1: -7.1 Kcal/Mol |
| GA212E | Conformer 1: -8.1 Kcal/Mol |
| GA213E | Conformer 1: -7.7 Kcal/Mol |
| IA228V | Conformer 1: -7.9 Kcal/Mol |
| WA231L | Conformer 1: -8.1 Kcal/Mol |
| IA2F | Conformer 1: -7.6 Kcal/Mol |
| RA233H | Conformer 1: -8.2 Kcal/Mol |
| RA233L | Conformer 1: -8.0 Kcal/Mol |
| RA233C | Conformer 1: -7.2 Kcal/Mol |
| CA235S | Conformer 1: -8.0 Kcal/Mol |
| AA236T | Conformer 1: -7.9 Kcal/Mol |
| KA240M | Conformer 1: -8.1 Kcal/Mol |
| GA242V | Conformer 1: -8.3 Kcal/Mol |
| VA243I | Conformer 1: -7.7 Kcal/Mol |
| VA32M | Conformer 1: -7.2 Kcal/Mol |
| CA34S | Conformer 1: -8.1 Kcal/Mol |
| CA34Y | Conformer 1: -8.1 Kcal/Mol |
| TA53A | Conformer 1: -8.0 Kcal/Mol |
| HA54P | Conformer 1: -8.2 Kcal/Mol |
| FA56C | Conformer 1: -7.9 Kcal/Mol |
| IA2T | Conformer 1: -7.9 Kcal/Mol |
| FA56L | Conformer 1: -8.1 Kcal/Mol |
| IA57V | Conformer 1: -8.0 Kcal/Mol |
| AA101T | Conformer 1: -7.8 Kcal/Mol |
| LA104H | Conformer 1: -8.0 Kcal/Mol |
| DA109N | Conformer 1: -7.8 Kcal/Mol |
| IA149N | Conformer 1: -8.0 Kcal/Mol |
| KA154E | Conformer 1: -8.2 Kcal/Mol |
| SA157Y | Conformer 1: -8.4 Kcal/Mol |
| YA162H | Conformer 1: -7.4 Kcal/Mol |
| AA197V | Conformer 1: -8.1 Kcal/Mol |
| IA2S | Conformer 1: -8.1 Kcal/Mol |
