Ligand name: 4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-5-GUANIDINO-PENTANOYLAMINO]-4-(1-CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-BUTYRIC ACID
PDB ligand accession: DKT
DrugBank: DB01984
PubChem: 17753951
ChEMBL: n/a
InChI Key: LKCWMWZIRUHWBW-ZXYZSCNASA-N
SMILES: c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)O
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 P96086

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1N6F	Download	Experimental	e1n6fA1 e1n6fA2 e1n6fA3 e1n6fA5 e1n6fB5 e1n6fA1 e1n6fB1 e1n6fB2 e1n6fB4 e1n6fB5 e1n6fC1 e1n6fC2 e1n6fC3 e1n6fC5 e1n6fD1 e1n6fC1 e1n6fD1 e1n6fD2 e1n6fD3 e1n6fD4 e1n6fF1 e1n6fE1 e1n6fE2 e1n6fE3 e1n6fE4 e1n6fF1 e1n6fF2 e1n6fF3 e1n6fF5 e1n6fE3	ClpP/crotonase Tail specific protease helical domain beta-propeller-like beta-propeller-like ClpP/crotonase ClpP/crotonase Tail specific protease helical domain beta-propeller-like beta-propeller-like ClpP/crotonase ClpP/crotonase Tail specific protease helical domain beta-propeller-like beta-propeller-like ClpP/crotonase ClpP/crotonase ClpP/crotonase beta-propeller-like Tail specific protease helical domain beta-propeller-like ClpP/crotonase beta-propeller-like beta-propeller-like ClpP/crotonase Tail specific protease helical domain ClpP/crotonase beta-propeller-like Tail specific protease helical domain beta-propeller-like ClpP/crotonase	LigPlot