Ligand name: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PDB ligand accession: R07
DrugBank: n/a
PubChem: 68097023
ChEMBL: CHEMBL4103104
InChI Key: XEOTUHPFOHTFEX-VLIAUNLRSA-N
SMILES: CC(C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)C3c4ccccc4CSc5c3cccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiepins
      • Subclass: Dibenzothiepins

List of PDB structures and/or AlphaFold models with target protein C3W5S0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VPX	Download	Experimental	e5vpxA1	Restriction endonuclease-like	LigPlot
5VPT	Download	Experimental	e5vptA1	Restriction endonuclease-like	LigPlot
5VQN	Download	Experimental	e5vqnA1	Restriction endonuclease-like	LigPlot
5VRJ	Download	Experimental	e5vrjA1	Restriction endonuclease-like	LigPlot