Ligand name: 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
PDB ligand accession: CJA
DrugBank: n/a
PubChem: 2820916
ChEMBL: CHEMBL1575436
InChI Key: ZVUPMFXOKKTVQT-UHFFFAOYSA-N
SMILES: CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2
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 Q9Y6W6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MC1	Download	Experimental	e6mc1B1 e6mc1A1 e6mc1C1 e6mc1F1 e6mc1D1 e6mc1E1	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot