Ligand name: 4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose
PDB ligand accession: ARE
DrugBank: DB04453
PubChem: 4369394
ChEMBL: n/a
InChI Key: JUCZMZWYUIRMPL-NPPSNIQKSA-N
SMILES: [H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
Drug action: n/a

List of small molecule binding-associated PTMs for P04746

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	77	Phosphorylation			PyMOL_Chai1