Ligand name: Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide
PDB ligand accession: REM
DrugBank: DB00212
PubChem: 6324659
ChEMBL: CHEMBL31601
InChI Key: UXIGZRQVLGFTOU-VQXQMPIVSA-N
SMILES: CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)O
Drug action: inhibitor

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 P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3D91	Download	Experimental	e3d91A2 e3d91A3 e3d91B2 e3d91B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot