Ligand name: (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
PDB ligand accession: JHN
DrugBank: DB12134
PubChem: 25101874
ChEMBL: CHEMBL3317856
InChI Key: PZFAZQUREQIODZ-LJQANCHMSA-N
SMILES: c1c2c(cnc1CNC3CCN(CC3)CC4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P0AES4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RKS	Download	Experimental	e6rksA3 e6rksC2	HTH HTH	LigPlot
6RKU	Download	Experimental	e6rkuA2 e6rkuC3	HTH HTH	LigPlot
6RKW	Download	Experimental	e6rkwA4 e6rkwC4	HTH HTH	LigPlot