Closed electronicsbyjulie closed 1 year ago
It's one of the receptor's strongest agonists.
Best binding pairs:
C5 C8 C9 C10 C12 C13 H21 H22 H23 H24 H25 C11 - Val254 Tyr258 O4 C5 O6 - Asn155 His159 C1 C2 H14 H15 H16 - Asn109
Would be better to coordinate C1-C2 to His159 and sandwich the aromatic ring between Phe206 and Tyr258. The ester oxygens could then reach Asn109 but probably not Asn155.
The ligand docks well enough in the hGNAS2 coupled PDB to cause a correct prediction.
It's one of the receptor's strongest agonists.
Best binding pairs:
Would be better to coordinate C1-C2 to His159 and sandwich the aromatic ring between Phe206 and Tyr258. The ester oxygens could then reach Asn109 but probably not Asn155.