Ligand name: 5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
PDB ligand accession: NPK
DrugBank: n/a
PubChem: 54751695
ChEMBL: n/a
InChI Key: MVOCLTWEOIJKEV-JTWAPGJUSA-N
SMILES: CC(c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3C4CSC(C4NC3=O)CCCCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P02701

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VHM	Download	Experimental	e3vhmA1 e3vhmC1 e3vhmB1 e3vhmC1 e3vhmD1 e3vhmB1 e3vhmD1	Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin Lipocalins/Streptavidin	LigPlot