Ligand name: Repotrectinib
PDB ligand accession: 7GI
DrugBank: DB16826
PubChem: 135565923
ChEMBL: CHEMBL4298138
InChI Key: FIKPXCOQUIZNHB-WDEREUQCSA-N
SMILES: CC1CNC(=O)c2cnn3c2nc(cc3)NC(c4cc(ccc4O1)F)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolactams
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein J3KP20

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VKO	Download	Experimental	e7vkoA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7VKN	Download	Experimental	e7vknA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot