Ligand name: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide
PDB ligand accession: 66J
DrugBank: n/a
PubChem: 68111516
ChEMBL: CHEMBL3259832
InChI Key: VKVMIZCLMUKTTA-KRWDZBQOSA-N
SMILES: CC#Cc1cc(cnc1)c2cc(c(s2)C3(CS(=O)(=O)N(C(=N)N3)C)C)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thiophenes
      • Subclass: 2,3,5-trisubstituted thiophenes

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HTZ	Download	Experimental	e5htzA1 e5htzA2 e5htzB1 e5htzB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot