Ligand name: methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
PDB ligand accession: S2J
DrugBank: n/a
PubChem: 944840
ChEMBL: n/a
InChI Key: RSMBLBWVWNZVOE-SSDOTTSWSA-N
SMILES: CCNC(=O)N1CCNC(=O)C1CC(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q9BRQ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5R5K	Download	Experimental	e5r5kA1	beta-Grasp	LigPlot