Ligand name: 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one
PDB ligand accession: RW6
DrugBank: n/a
PubChem: 18137974;135667559;
ChEMBL: n/a
InChI Key: OKUZLQSVACVDFQ-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)C3
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 Q16531

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BUF	Download	Experimental	e8bufA3 e8bufB1 e8bufD1 e8bufE1 e8bufG1 e8bufH1	beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot