Ligand name: 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
PDB ligand accession: XIH
DrugBank: DB08743
PubChem: 6914643
ChEMBL: n/a
InChI Key: XJNKUWDMCBZMTG-OAHLLOKOSA-N
SMILES: [H][C@@]1(N)CCCN(C1)C1=NC2=C(N1CC1=CC=CC=C1C#N)C(=O)N(C)C(=O)N2C
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
SER	630	Phosphorylation		PyMOL_RFAA
TYR	631	Phosphorylation			PyMOL_Chai1
THR	636	Phosphorylation		PyMOL_RFAA