Ligand name: Doramapimod
PDB ligand accession: B96
DrugBank: DB03044
PubChem: 156422
ChEMBL: CHEMBL103667
InChI Key: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C
Drug action: n/a

List of small molecule binding-associated PTMs for Q16539

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	53	Acetylation		PyMOL_RFAA
LYS	152	Acetylation		PyMOL_RFAA
SER	28	Phosphorylation		PyMOL_RFAA
SER	32	Phosphorylation		PyMOL_RFAA
TYR	323	Phosphorylation			PyMOL_Chai1
TYR	140	Phosphorylation			PyMOL_Chai1
TYR	35	Phosphorylation			PyMOL_Chai1
SER	37	Phosphorylation		PyMOL_RFAA
LYS	152	Ubiquitination