Ligand name: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide
PDB ligand accession: KU2
DrugBank: n/a
PubChem: 131953457;135567349;
ChEMBL: n/a
InChI Key: SAJTUABEFGSMCM-SFHVURJKSA-N
SMILES: c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)CSc4ccccc4Cl)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

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
5WF3	Download	Experimental	e5wf3A1	Restriction endonuclease-like	LigPlot
5W9G	Download	Experimental	e5w9gA1	Restriction endonuclease-like	LigPlot