Ligand name: N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide
PDB ligand accession: R30
DrugBank: n/a
PubChem: 56932132
ChEMBL: CHEMBL2442067
InChI Key: TWIVXCFEBRGEKY-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein A0A0A7E693

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YLU	Download	Experimental	e4yluA1 e4yluA2 e4yluB1 e4yluA2 e4yluB1 e4yluB2 e4yluC1 e4yluC2 e4yluD2 e4yluC2 e4yluD1 e4yluD2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot