Ligand name: Entrectinib
PDB ligand accession: YMX
DrugBank: DB11986
PubChem: 25141092
ChEMBL: CHEMBL1983268
InChI Key: HAYYBYPASCDWEQ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P04629

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KVT	Download	Experimental	e5kvtA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot