Ligand name: 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
PDB ligand accession: 21Y
DrugBank: n/a
PubChem: 137348021
ChEMBL: n/a
InChI Key: OUZHHLJHIYIRIB-UHFFFAOYSA-N
SMILES: CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl
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 P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4M21	Download	Experimental	e4m21B1	P-loop domains-like	LigPlot