Ligand name: 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
PDB ligand accession: D56
DrugBank: DB07626
PubChem: 23653533
ChEMBL: CHEMBL253825
InChI Key: CKBBGCJYKCLKHE-UHFFFAOYSA-N
SMILES: CCOC1=C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)C=C(C=C1Cl)N1CCCCC1
Drug action: n/a

List of small molecule binding-associated PTMs for P00749

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
ASN 322 N-linked_glycosylation
SER 323 Phosphorylation PyMOL_Chai1
THR 316 Phosphorylation PyMOL_Chai1
THR 324 Phosphorylation PyMOL_Chai1
TYR 328 Phosphorylation PyMOL_Chai1
SER 395 Phosphorylation PyMOL_Chai1