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 Q9Y6M4

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 68 Phosphorylation PyMOL_Chai1
TYR 90 Phosphorylation PyMOL_Chai1
TYR 103 Phosphorylation PyMOL_Chai1
THR 332 Phosphorylation PyMOL_RFAA
LYS 48 Ubiquitination
LYS 164 Ubiquitination