Ligand name: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
PDB ligand accession: H52
DrugBank: DB07876
PubChem: 448043
ChEMBL: CHEMBL406821
InChI Key: AWDORCFLUJZUQS-ZDUSSCGKSA-N
SMILES: [H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P17612

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
THR	49	Phosphorylation		PyMOL_RFAA
THR	52	Phosphorylation			PyMOL_Chai1
SER	54	Phosphorylation		PyMOL_RFAA
THR	202	Phosphorylation		PyMOL_RFAA
TYR	331	Phosphorylation			PyMOL_Chai1
THR	325	Phosphorylation		PyMOL_RFAA
SER	326	Phosphorylation		PyMOL_RFAA
CYS	200	Glutathionylation		PyMOL_RFAA
THR	89	Phosphorylation		PyMOL_RFAA
THR	196	Phosphorylation		PyMOL_RFAA
THR	198	Phosphorylation		PyMOL_RFAA