Ligand name: ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
PDB ligand accession: OEW
DrugBank: n/a
PubChem: 146018711
ChEMBL: n/a
InChI Key: SFLPCGWJLKRMNL-ZNEWLNCYSA-N
SMILES: CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CCCCC2)C(=O)NC(CC3CC=NC3=O)C(C(=O)NC4CC4)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 P0C6U8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Y7M	Download	Experimental	e6y7mAAA1 e6y7mAAA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot