Ligand name: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
PDB ligand accession: FI1
DrugBank: n/a
PubChem: 53488415
ChEMBL: CHEMBL1923468
InChI Key: FLGSVBQCPOVGER-VNZMSGEBSA-N
SMILES: c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCCN(C3=O)CC(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5
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 P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SW2	Download	Experimental	e3sw2B1	cradle loop barrel	LigPlot