Ligand name: ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
PDB ligand accession: D1Z
DrugBank: n/a
PubChem: 134812709
ChEMBL: n/a
InChI Key: FZJOWQUOIQPJIY-HSZRJFAPSA-N
SMILES: CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3OC(CO4)CNC(=O)C5CCOCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxanes
      • Subclass: Benzo-1,4-dioxanes

List of PDB structures and/or AlphaFold models with target protein P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6FA3	Download	Experimental	e6fa3B1 e6fa3E1 e6fa3C1 e6fa3A1 e6fa3D1 e6fa3F1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot