Ligand name: N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
PDB ligand accession: I50
DrugBank: DB07946
PubChem: 10114365
ChEMBL: CHEMBL401842
InChI Key: DZEJHPMTDNDECN-UHFFFAOYSA-N
SMILES: [H]N([H])C(=NOCCN([H])C(=O)CC1=C(Cl)C=CC(N([H])CC(F)(F)C2=CC=CC=C2)=C1F)N([H])[H]
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	599	Acetylation			PyMOL_Chai1
SER	539	Phosphorylation			PyMOL_Chai1
THR	540	Phosphorylation			PyMOL_Chai1