Ligand name: (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
PDB ligand accession: 4YN
DrugBank: n/a
PubChem: 91826691
ChEMBL: n/a
InChI Key: XOZJVPQFZSCGTE-WIYYLYMNSA-O
SMILES: CC1CN(C(C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C
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 P98170

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5C83	Download	Experimental	e5c83A1	Inhibitor of apoptosis (IAP) repeat	LigPlot