Ligand name: 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
PDB ligand accession: D8G
DrugBank: DB07628
PubChem: 654376
ChEMBL: CHEMBL1084625
InChI Key: IEWYEWDDQWYJLU-UHFFFAOYSA-N
SMILES: CN1C2=C(SC(C)=C2)C2=C1C(=O)N(CC1=CC=CC=C1F)N=C2
Drug action: n/a

List of small molecule binding-associated PTMs for P14618

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	311	Acetylation		PyMOL_RFAA
ARG	319	Methylation		PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA
ARG	467	Methylation		PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA
TYR	390	Phosphorylation			PyMOL_Chai1
TYR	444	Phosphorylation			PyMOL_Chai1
THR	25	Phosphorylation		PyMOL_RFAA
LYS	311	Ubiquitination