Ligand name: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
PDB ligand accession: 6EJ
DrugBank: DB15345
PubChem: 119057475
ChEMBL: CHEMBL3793226
InChI Key: SRICOHRDRMZREQ-MRXNPFEDSA-N
SMILES: c1cc(c2c3c1C=CC(=O)N3CC2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Quinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein Q99XG5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5IWI	Download	Experimental	e5iwiA3 e5iwiC2	HTH HTH	LigPlot
5IWM	Download	Experimental	e5iwmA3 e5iwmC3	HTH HTH	LigPlot