Ligand name: Lemborexant
PDB ligand accession: NRK
DrugBank: DB11951
PubChem: 56944144
ChEMBL: CHEMBL3545367
InChI Key: MUGXRYIUWFITCP-PGRDOPGGSA-N
SMILES: CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1
Drug action: n/a

List of small molecule binding-associated PTMs for O43614

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 317 Phosphorylation PyMOL_Chai1
SER 321 Phosphorylation PyMOL_RFAA
TYR 132 Phosphorylation PyMOL_Chai1
THR 135 Phosphorylation PyMOL_RFAA
SER 137 Phosphorylation PyMOL_RFAA
SER 139 Phosphorylation PyMOL_RFAA
SER 141 Phosphorylation PyMOL_RFAA