Ligand name: 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
PDB ligand accession: UI1
DrugBank: DB03082
PubChem: 448605
ChEMBL: CHEMBL104166
InChI Key: CSWQJKHBMACTGB-UHFFFAOYSA-N
SMILES: NCC1=CC=C(NC(=O)C2=CC(NC3=NC=CC=N3)=C3C=C(C=CC3=C2)C(N)=N)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P00749

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	323	Phosphorylation			PyMOL_Chai1
THR	324	Phosphorylation			PyMOL_Chai1
TYR	326	Phosphorylation			PyMOL_Chai1
TYR	328	Phosphorylation			PyMOL_Chai1
THR	335	Phosphorylation			PyMOL_Chai1
SER	395	Phosphorylation			PyMOL_Chai1