Ligand name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
PDB ligand accession: 2A2
DrugBank: n/a
PubChem: 50937462
ChEMBL: n/a
InChI Key: ZRDBMFDEDKLQCF-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS
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 O15530

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ORZ	Download	Experimental	e3orzA1 e3orzB1 e3orzC1 e3orzD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot