Ligand name: (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
PDB ligand accession: GRW
DrugBank: n/a
PubChem: 137349451
ChEMBL: n/a
InChI Key: XLNBYEKPCUBUPH-GSQIWVKLSA-N
SMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[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 P25451

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HVR	Download	Experimental	e6hvrH1 e6hvrI1 e6hvrZ1 e6hvrV1 e6hvrW1 e6hvrL1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot
6HW4	Download	Experimental	e6hw4H1 e6hw4I1 e6hw4Z1 e6hw4V1 e6hw4W1 e6hw4L1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot
6HUB	Download	Experimental	e6hubH1 e6hubI1 e6hubZ1 e6hubV1 e6hubW1 e6hubL1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot