Ligand name: N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
PDB ligand accession: 3JJ
DrugBank: n/a
PubChem: 77232232
ChEMBL: CHEMBL3344089
InChI Key: BSMNRBWKVZRMBK-PEISPCAHSA-N
SMILES: Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C)NC(=O)C)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 P40337

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4W9L	Download	Experimental	e4w9lC2 e4w9lL1 e4w9lF2 e4w9lI1 e4w9lI2 e4w9lL2	Immunoglobulin-like beta-sandwich SOCS box-like Immunoglobulin-like beta-sandwich SOCS box-like Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot