Ligand name: K-00546
PDB ligand accession: DKI
DrugBank: DB07664
PubChem: 5330812
ChEMBL: CHEMBL261720
InChI Key: ARIOBGGRZJITQX-UHFFFAOYSA-N
SMILES: NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F
Drug action: n/a

List of small molecule binding-associated PTMs for Q9H2G2

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	50	Ubiquitination
LYS	63	Ubiquitination
LYS	157	Ubiquitination