Ligand name: 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one
PDB ligand accession: C8G
DrugBank: n/a
PubChem: 137349063
ChEMBL: n/a
InChI Key: JZGAPYVXPKOQIL-UHFFFAOYSA-N
SMILES: CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)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
6B0V	Download	Experimental	e6b0vA1 e6b0vB1	P-loop domains-like P-loop domains-like	LigPlot