GUID |
https://w3id.org/psnpbind/variant/713/ligand/CHEMBL592849 |
PDB ID |
5a7b |
Variant Type |
WT |
Ligand ID (ChEMBL ID) |
CHEMBL592849 |
Ligand Similarity* to the one in the experimentally obtained structure of the 5a7b complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel |
0.659574 |
Binding Affinity |
|
Binding Affinities Against Other 5a7b Variants |
|
GA154V | Conformer 1: -5.7 Kcal/Mol |
GA154S | Conformer 1: -5.4 Kcal/Mol |
GA154C | Conformer 1: -5.5 Kcal/Mol |
GA154I | Conformer 1: -5.8 Kcal/Mol |
GA154A | Conformer 1: -5.5 Kcal/Mol |
TA155N | Conformer 1: -5.5 Kcal/Mol |
TA155S | Conformer 1: -5.7 Kcal/Mol |
FA109C | Conformer 1: -5.9 Kcal/Mol |
TA155A | Conformer 1: -5.2 Kcal/Mol |
TA155M | Conformer 1: -5.5 Kcal/Mol |
TA155I | Conformer 1: -5.3 Kcal/Mol |
TA155P | Conformer 1: -5.8 Kcal/Mol |
RA156C | Conformer 1: -5.6 Kcal/Mol |
RA156P | Conformer 1: -5.3 Kcal/Mol |
RA156H | Conformer 1: -5.5 Kcal/Mol |
RA156S | Conformer 1: -5.4 Kcal/Mol |
RA156L | Conformer 1: -5.9 Kcal/Mol |
PA223A | Conformer 1: -5.5 Kcal/Mol |
EA224K | Conformer 1: -5.5 Kcal/Mol |
EA224A | Conformer 1: -5.4 Kcal/Mol |
EA224D | Conformer 1: -5.9 Kcal/Mol |
EA224V | Conformer 1: -5.5 Kcal/Mol |
EA224G | Conformer 1: -5.2 Kcal/Mol |
RA110C | Conformer 1: -5.6 Kcal/Mol |
SA227P | Conformer 1: -5.3 Kcal/Mol |
SA227T | Conformer 1: -5.5 Kcal/Mol |
SA227F | Conformer 1: -5.9 Kcal/Mol |
SA227C | Conformer 1: -5.5 Kcal/Mol |
DA228P | Conformer 1: -5.8 Kcal/Mol |
DA228G | Conformer 1: -5.6 Kcal/Mol |
DA228A | Conformer 1: -5.8 Kcal/Mol |
DA228N | Conformer 1: -5.6 Kcal/Mol |
DA228Y | Conformer 1: -5.6 Kcal/Mol |
DA228E | Conformer 1: -5.4 Kcal/Mol |
RA110H | Conformer 1: -5.5 Kcal/Mol |
DA228V | Conformer 1: -5.5 Kcal/Mol |
DA228H | Conformer 1: -5.8 Kcal/Mol |
LA145V | Conformer 1: -5.3 Kcal/Mol |
LA145R | Conformer 1: -5.6 Kcal/Mol |
LA145M | Conformer 1: -5.5 Kcal/Mol |
WA146G | Conformer 1: -5.6 Kcal/Mol |
WA146R | Conformer 1: -5.4 Kcal/Mol |
WA146C | Conformer 1: -5.9 Kcal/Mol |
WA146L | Conformer 1: -5.6 Kcal/Mol |
YA107S | Conformer 1: -5.4 Kcal/Mol |
WA146S | Conformer 1: -5.9 Kcal/Mol |
VA147I | Conformer 1: -5.3 Kcal/Mol |
VA147G | Conformer 1: -6.4 Kcal/Mol |
VA147D | Conformer 1: -5.8 Kcal/Mol |
VA147A | Conformer 1: -5.7 Kcal/Mol |
VA147F | Conformer 1: -5.5 Kcal/Mol |
VA147E | Conformer 1: -5.4 Kcal/Mol |
DA148A | Conformer 1: -5.5 Kcal/Mol |
DA148Y | Conformer 1: -5.6 Kcal/Mol |
DA148V | Conformer 1: -5.8 Kcal/Mol |
YA107H | Conformer 1: -5.5 Kcal/Mol |
DA148N | Conformer 1: -5.3 Kcal/Mol |
DA148E | Conformer 1: -5.4 Kcal/Mol |
DA148G | Conformer 1: -5.6 Kcal/Mol |
SA149F | Conformer 1: -5.2 Kcal/Mol |
SA149P | Conformer 1: -5.4 Kcal/Mol |
YA107N | Conformer 1: -5.6 Kcal/Mol |
RA110L | Conformer 1: -5.4 Kcal/Mol |
RA202P | Conformer 1: -5.5 Kcal/Mol |
RA202S | Conformer 1: -5.4 Kcal/Mol |
PA219S | Conformer 1: -5.1 Kcal/Mol |
PA223S | Conformer 1: -5.8 Kcal/Mol |
CA229R | Conformer 1: -5.6 Kcal/Mol |
LA145Q | Conformer 1: -5.6 Kcal/Mol |
SA149T | Conformer 1: -5.5 Kcal/Mol |
GA154R | Conformer 1: -5.4 Kcal/Mol |
RA156G | Conformer 1: -5.6 Kcal/Mol |
TA150P | Conformer 1: -5.6 Kcal/Mol |
TA150I | Conformer 1: -5.6 Kcal/Mol |
TA150A | Conformer 1: -5.6 Kcal/Mol |
TA150K | Conformer 1: -5.6 Kcal/Mol |
YA107D | Conformer 1: -5.5 Kcal/Mol |
TA150R | Conformer 1: -5.4 Kcal/Mol |
TA150N | Conformer 1: -5.3 Kcal/Mol |
PA151H | Conformer 1: -5.8 Kcal/Mol |
PA151A | Conformer 1: -5.6 Kcal/Mol |
PA151T | Conformer 1: -5.2 Kcal/Mol |
PA151S | Conformer 1: -5.8 Kcal/Mol |
PA151R | Conformer 1: -5.9 Kcal/Mol |
PA151L | Conformer 1: -6.2 Kcal/Mol |
PA152L | Conformer 1: -5.6 Kcal/Mol |
PA152S | Conformer 1: -5.6 Kcal/Mol |
FA109S | Conformer 1: -5.0 Kcal/Mol |
PA152Q | Conformer 1: -5.5 Kcal/Mol |
PA152A | Conformer 1: -5.8 Kcal/Mol |
PA152R | Conformer 1: -5.1 Kcal/Mol |
PA152T | Conformer 1: -5.3 Kcal/Mol |
PA153S | Conformer 1: -5.6 Kcal/Mol |
PA153H | Conformer 1: -5.8 Kcal/Mol |
PA153R | Conformer 1: -5.5 Kcal/Mol |
PA153A | Conformer 1: -5.4 Kcal/Mol |
PA153L | Conformer 1: -5.5 Kcal/Mol |
PA153F | Conformer 1: -5.1 Kcal/Mol |
FA109V | Conformer 1: -5.8 Kcal/Mol |
PA153T | Conformer 1: -5.5 Kcal/Mol |
GA154D | Conformer 1: -5.5 Kcal/Mol |
CA229Y | Conformer 1: -5.4 Kcal/Mol |
CA229N | Conformer 1: -5.4 Kcal/Mol |
CA229S | Conformer 1: -5.5 Kcal/Mol |
CA229G | Conformer 1: -5.6 Kcal/Mol |
TA230N | Conformer 1: -5.7 Kcal/Mol |
TA230P | Conformer 1: -5.5 Kcal/Mol |
TA230S | Conformer 1: -5.7 Kcal/Mol |
RA110G | Conformer 1: -5.7 Kcal/Mol |
TA230I | Conformer 1: -5.6 Kcal/Mol |
TA230A | Conformer 1: -5.9 Kcal/Mol |
TA231I | Conformer 1: -5.8 Kcal/Mol |
TA231S | Conformer 1: -5.3 Kcal/Mol |
TA231N | Conformer 1: -5.6 Kcal/Mol |
TA231A | Conformer 1: -6.0 Kcal/Mol |
LA257R | Conformer 1: -5.7 Kcal/Mol |
LA257P | Conformer 1: -5.4 Kcal/Mol |
LA257Q | Conformer 1: -5.6 Kcal/Mol |
LA257V | Conformer 1: -5.6 Kcal/Mol |
QA144P | Conformer 1: -5.4 Kcal/Mol |
QA144H | Conformer 1: -5.4 Kcal/Mol |
QA144L | Conformer 1: -5.2 Kcal/Mol |
QA144R | Conformer 1: -5.8 Kcal/Mol |
YA107C | Conformer 1: -5.5 Kcal/Mol |
QA144K | Conformer 1: -5.6 Kcal/Mol |
LA145P | Conformer 1: -5.5 Kcal/Mol |
FA109L | Conformer 1: -5.5 Kcal/Mol |
VA157F | Conformer 1: -5.5 Kcal/Mol |
VA157A | Conformer 1: -5.5 Kcal/Mol |
VA157I | Conformer 1: -5.6 Kcal/Mol |
VA157D | Conformer 1: -5.5 Kcal/Mol |
VA157L | Conformer 1: -5.4 Kcal/Mol |
VA157G | Conformer 1: -5.4 Kcal/Mol |
RA202H | Conformer 1: -5.0 Kcal/Mol |
RA202L | Conformer 1: -5.5 Kcal/Mol |
RA202C | Conformer 1: -5.0 Kcal/Mol |
RA202G | Conformer 1: -5.5 Kcal/Mol |
PA219L | Conformer 1: -5.8 Kcal/Mol |
PA219C | Conformer 1: -5.0 Kcal/Mol |
PA219T | Conformer 1: -5.2 Kcal/Mol |
PA219R | Conformer 1: -5.3 Kcal/Mol |
PA219H | Conformer 1: -5.3 Kcal/Mol |
EA221K | Conformer 1: -5.3 Kcal/Mol |
EA221A | Conformer 1: -5.1 Kcal/Mol |
RA110S | Conformer 1: -5.7 Kcal/Mol |
EA221D | Conformer 1: -5.4 Kcal/Mol |
EA221Q | Conformer 1: -5.3 Kcal/Mol |
EA221G | Conformer 1: -5.4 Kcal/Mol |
PA222L | Conformer 1: -5.6 Kcal/Mol |
PA222S | Conformer 1: -5.3 Kcal/Mol |
PA222R | Conformer 1: -5.3 Kcal/Mol |
PA222A | Conformer 1: -5.4 Kcal/Mol |
PA222Q | Conformer 1: -5.5 Kcal/Mol |
PA222T | Conformer 1: -5.6 Kcal/Mol |
PA223L | Conformer 1: -5.7 Kcal/Mol |
RA110P | Conformer 1: -5.8 Kcal/Mol |
PA223H | Conformer 1: -5.6 Kcal/Mol |
PA223R | Conformer 1: -5.7 Kcal/Mol |
PA223T | Conformer 1: -5.6 Kcal/Mol |