Ligand name: Selpercatinib
PDB ligand accession: Q6G
DrugBank: n/a
PubChem: 155804485
ChEMBL: CHEMBL5430810
InChI Key: XIIOFHFUYBLOLW-ZRZAMGCNSA-N
SMILES: CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4CC5CC(C4)N5Cc6ccc(nc6)OC)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P07949

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7JU6	Download	Experimental	e7ju6A1 e7ju6B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7DU8	Download	Experimental	e7du8A1 e7du8A1 e7du8B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot