Ligand name: N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
PDB ligand accession: 0QS
DrugBank: n/a
PubChem: 53389257
ChEMBL: n/a
InChI Key: RRJUDVVMLCYZDV-DTXPUJKBSA-O
SMILES: CC(C)(C)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C(=O)NC(CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

List of PDB structures and/or AlphaFold models with target protein P11838

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VS2	Download	Experimental	e2vs2A2 e2vs2A3	cradle loop barrel cradle loop barrel	LigPlot
2JJJ	Download	Experimental	e2jjjA2 e2jjjA3	cradle loop barrel cradle loop barrel	LigPlot
2JJI	Download	Experimental	e2jjiA2 e2jjiA3	cradle loop barrel cradle loop barrel	LigPlot
1OD1	Download	Experimental	e1od1A2 e1od1A3	cradle loop barrel cradle loop barrel	LigPlot
1EPR	Download	Experimental	e1eprE2 e1eprE3	cradle loop barrel cradle loop barrel	LigPlot