GUID |
https://w3id.org/psnpbind/variant/726/ligand/CHEMBL305492 |
PDB ID |
1owh |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL305492 |
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 |
0.636364 |
Binding Affinity |
|
Binding Affinities Against Other 1owh Variants |
|
AA198P | Conformer 1: -6.6 Kcal/Mol |
TA204R | Conformer 1: -6.6 Kcal/Mol |
QA208L | Conformer 1: -7.1 Kcal/Mol |
GA209V | Conformer 1: -7.2 Kcal/Mol |
GA209E | Conformer 1: -6.5 Kcal/Mol |
GA209R | Conformer 1: -6.3 Kcal/Mol |
GA212E | Conformer 1: -6.6 Kcal/Mol |
GA213E | Conformer 1: -6.7 Kcal/Mol |
IA228V | Conformer 1: -6.9 Kcal/Mol |
WA231L | Conformer 1: -7.0 Kcal/Mol |
IA2F | Conformer 1: -6.4 Kcal/Mol |
RA233H | Conformer 1: -6.9 Kcal/Mol |
RA233L | Conformer 1: -6.9 Kcal/Mol |
RA233C | Conformer 1: -6.7 Kcal/Mol |
CA235S | Conformer 1: -6.7 Kcal/Mol |
AA236T | Conformer 1: -6.9 Kcal/Mol |
KA240M | Conformer 1: -7.0 Kcal/Mol |
GA242V | Conformer 1: -6.7 Kcal/Mol |
VA243I | Conformer 1: -7.0 Kcal/Mol |
VA32M | Conformer 1: -6.6 Kcal/Mol |
CA34S | Conformer 1: -6.8 Kcal/Mol |
CA34Y | Conformer 1: -6.6 Kcal/Mol |
TA53A | Conformer 1: -6.8 Kcal/Mol |
HA54P | Conformer 1: -7.0 Kcal/Mol |
FA56C | Conformer 1: -6.7 Kcal/Mol |
IA2T | Conformer 1: -7.0 Kcal/Mol |
FA56L | Conformer 1: -6.6 Kcal/Mol |
IA57V | Conformer 1: -6.9 Kcal/Mol |
AA101T | Conformer 1: -6.6 Kcal/Mol |
LA104H | Conformer 1: -7.2 Kcal/Mol |
DA109N | Conformer 1: -6.9 Kcal/Mol |
IA149N | Conformer 1: -7.0 Kcal/Mol |
KA154E | Conformer 1: -6.8 Kcal/Mol |
SA157Y | Conformer 1: -7.3 Kcal/Mol |
YA162H | Conformer 1: -6.8 Kcal/Mol |
AA197V | Conformer 1: -7.1 Kcal/Mol |
IA2S | Conformer 1: -6.9 Kcal/Mol |