Ligand name: (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
PDB ligand accession: UJA
DrugBank: n/a
PubChem: 155908655
ChEMBL: n/a
InChI Key: WQMFHHFJPDQBMH-IZLXSDGUSA-N
SMILES: c1cc(sc1)CNC(=O)C2CN(CCN2C(=O)C(CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl
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 P00748

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6X0S	Download	Experimental	e6x0sA1 e6x0sB1 e6x0sC1	cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot