Ligand name: ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL)
PDB ligand accession: YN4
DrugBank: n/a
PubChem: 124081736
ChEMBL: CHEMBL4172252
InChI Key: BOXNSEIJTUHQDY-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q4Q5S8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5G21	Download	Experimental	e5g21A1 e5g21A2	Nat/Ivy Nat/Ivy	LigPlot