Ligand name: ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
PDB ligand accession: ENB
DrugBank: DB04692
PubChem: 23304231
ChEMBL: n/a
InChI Key: NUDVEHBHDBJSMD-XBEUYHOESA-N
SMILES: CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(c2ccccc2)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C
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 P59641

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2D2D	Download	Experimental	e2d2dA1 e2d2dA2 e2d2dB1 e2d2dB1 e2d2dB2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot