Ligand name: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
PDB ligand accession: 9ZJ
DrugBank: n/a
PubChem: 124584023
ChEMBL: n/a
InChI Key: IMPMOBJZWFZYGR-OTYXRUKQSA-N
SMILES: CC1Nc2ccc(cc2C(O1)(C#CC3CC3)C(F)(F)F)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxazines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P20813

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WBG	Download	Experimental	e5wbgA1 e5wbgB1 e5wbgC1 e5wbgD1 e5wbgE1 e5wbgF1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot