Ligand name: Linagliptin
PDB ligand accession: 356
DrugBank: DB08882
PubChem: 10096344
ChEMBL: CHEMBL237500
InChI Key: LTXREWYXXSTFRX-QGZVFWFLSA-N
SMILES: CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1
Drug action: n/a

List of small molecule binding-associated PTMs for P27487

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	48	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
SER	630	Phosphorylation		PyMOL_RFAA
TYR	631	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
THR	636	Phosphorylation		PyMOL_RFAA