Ligand name: ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
PDB ligand accession: PP0
DrugBank: n/a
PubChem: 20879070
ChEMBL: n/a
InChI Key: BEPDKTMMVYTHND-UHFFFAOYSA-N
SMILES: CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylmethylamines

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IW6	Download	Experimental	e3iw6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot