Ligand name: 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PDB ligand accession: XBL
DrugBank: n/a
PubChem: 18524077
ChEMBL: n/a
InChI Key: NMJYSGXBNVGFPT-UHFFFAOYSA-N
SMILES: Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein Q54A96

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CQ9	Download	Experimental	e4cq9A1 e4cq9B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot