Ligand name: Entrectinib
PDB ligand accession: YMX
DrugBank: DB11986
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 PDB structures and/or AlphaFold models with target protein P08922

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P08922	Download	Predicted	P08922_F1_nD2 P08922_F1_nD14	Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp
3ZBF		Predicted	e3zbfA1
4UXL		Predicted	e4uxlA1