Ligand name: Entrectinib
PDB ligand accession: YMX
DrugBank: DB11986
PubChem: 25141092
ChEMBL: CHEMBL1983268
InChI Key: HAYYBYPASCDWEQ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P04629

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	591	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
TYR	680	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1