Ligand name: 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
PDB ligand accession: IHE
DrugBank: DB07965
PubChem: 5288616
ChEMBL: CHEMBL363847
InChI Key: OGODDSLNRULSMM-UHFFFAOYSA-N
SMILES: CN1CCN(CCN2C=NC3=C(NC4CCCCC4)N=C(N=C23)C#N)CC1
Drug action: n/a

List of small molecule binding-associated PTMs for P43235

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	203	Phosphorylation			PyMOL_Chai1
CYS	139	S-nitrosylation			PyMOL_Chai1