Ligand name: 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one
PDB ligand accession: WDS
DrugBank: n/a
PubChem: 16804777
ChEMBL: n/a
InChI Key: DSTQURGOCGYFAN-UHFFFAOYSA-N
SMILES: CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4
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 P42330

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XVE	Download	Experimental	e4xveA1	TIM beta/alpha-barrel	LigPlot