Ligand name: (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid
PDB ligand accession: D3A
DrugBank: n/a
PubChem: 57778011
ChEMBL: CHEMBL2057280
InChI Key: MSSQOQPKGAMUSY-LEAFIULHSA-N
SMILES: COc1cccc(c1OC)C2c3cc(ccc3-n4cccc4C(O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Methoxybenzenes

List of PDB structures and/or AlphaFold models with target protein P37268

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3V66	Download	Experimental	e3v66A1	Terpenoid synthases	LigPlot