Ligand name: (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
PDB ligand accession: RVR
DrugBank: n/a
PubChem: 169408383
ChEMBL: n/a
InChI Key: HAFJUHKWFUKUJR-OAHLLOKOSA-N
SMILES: c1cc2c(cc1Cl)C(CNS2(=O)=O)C(=O)Nc3cncc4c3CCCC4
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 P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7GNA	Download	Experimental	e7gnaA1 e7gnaA2 e7gnaB1	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel	LigPlot
7GND	Download	Experimental	e7gndA1 e7gndA2 e7gndB1 e7gndA1 e7gndB1 e7gndB2	cradle loop barrel 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	LigPlot