Ligand name: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
PDB ligand accession: 2NC
DrugBank: n/a
PubChem: 49866429
ChEMBL: n/a
InChI Key: MQPXOVRKKPPKFZ-QYKDHROSSA-O
SMILES: CCCCC(CNC(CCCC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=[NH2+])N)C(=O)N)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C
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 P04587

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1FFI	Download	Experimental	e1ffiD1 e1ffiC1	cradle loop barrel cradle loop barrel	LigPlot
2AOC	Download	Experimental	e2aocA1 e2aocB1	cradle loop barrel cradle loop barrel	LigPlot
2AVQ	Download	Experimental	e2avqA1 e2avqB1	cradle loop barrel cradle loop barrel	LigPlot
1FEJ	Download	Experimental	e1fejC1 e1fejD1	cradle loop barrel cradle loop barrel	LigPlot
2AOG	Download	Experimental	e2aogA1 e2aogB1	cradle loop barrel cradle loop barrel	LigPlot
1FG6	Download	Experimental	e1fg6D1 e1fg6C1	cradle loop barrel cradle loop barrel	LigPlot
2AOD	Download	Experimental	e2aodA1 e2aodB1	cradle loop barrel cradle loop barrel	LigPlot
2AVM	Download	Experimental	e2avmA1 e2avmB1	cradle loop barrel cradle loop barrel	LigPlot
1FF0	Download	Experimental	e1ff0D1 e1ff0C1	cradle loop barrel cradle loop barrel	LigPlot
1FGC	Download	Experimental	e1fgcC1 e1fgcD1	cradle loop barrel cradle loop barrel	LigPlot