Ligand name: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
PDB ligand accession: 0Q4
DrugBank: n/a
PubChem: 137347882
ChEMBL: n/a
InChI Key: SGWAZUZKMXHYMB-UQGDEETHSA-O
SMILES: CCCCC(C(=O)N)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NCC(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=[NH2+])N)N
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
1K2B	Download	Experimental	e1k2bB1 e1k2bA1	cradle loop barrel cradle loop barrel	LigPlot
1FFF	Download	Experimental	e1fffD1 e1fffC1	cradle loop barrel cradle loop barrel	LigPlot
1K2C	Download	Experimental	e1k2cA1 e1k2cB1	cradle loop barrel cradle loop barrel	LigPlot
1K1U	Download	Experimental	e1k1uB1 e1k1uA1	cradle loop barrel cradle loop barrel	LigPlot
2AOE	Download	Experimental	e2aoeA1 e2aoeB1	cradle loop barrel cradle loop barrel	LigPlot
1K1T	Download	Experimental	e1k1tA1 e1k1tB1	cradle loop barrel cradle loop barrel	LigPlot
1FG8	Download	Experimental	e1fg8D1 e1fg8C1	cradle loop barrel cradle loop barrel	LigPlot