Ligand name: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one
PDB ligand accession: 0V6
DrugBank: n/a
PubChem: 66575082
ChEMBL: CHEMBL2151181
InChI Key: IJYPXSRDUPWKPB-SFHVURJKSA-N
SMILES: CC#Cc1cc(cnc1)c2cc(c(s2)C3(CC(=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
4FRS	Download	Experimental	e4frsA2 e4frsA3 e4frsB2 e4frsB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot