Ligand name: N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
PDB ligand accession: 2D6
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL3110100
InChI Key: MCMCBDOVNWSRNM-UAPYVXQJSA-N
SMILES: c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N
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 O95271

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MT9	Download	Experimental	e4mt9A1 e4mt9B1	ADP-ribosylation ADP-ribosylation	LigPlot