Ligand name: (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name)
PDB ligand accession: 7J1
DrugBank: n/a
PubChem: 123132929
ChEMBL: n/a
InChI Key: MQUOXGJRURBMAU-NSOVKSMOSA-N
SMILES: COCC(C(=O)NCc1cccc2c1cccc2)NC(=O)C(CC(=O)n3cccc3)NC(=O)CCc4ccccc4
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 A5U4D6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5TS0	Download	Experimental	e5ts0H1 e5ts0I1 e5ts0I1 e5ts0J1 e5ts0J1 e5ts0K1 e5ts0K1 e5ts0L1 e5ts0L1 e5ts0M1 e5ts0M1 e5ts0N1 e5ts0H1 e5ts0N1 e5ts0V1 e5ts0W1 e5ts0W1 e5ts0X1 e5ts0X1 e5ts0Y1 e5ts0Y1 e5ts0Z1 e5ts0Z1 e5ts0a1 e5ts0a1 e5ts0b1 e5ts0V1 e5ts0b1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot