Ligand name: 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
PDB ligand accession: 1UE
DrugBank: n/a
PubChem: 72725265;135566834;
ChEMBL: CHEMBL3099580
InChI Key: RURPYDOTPJEGPP-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q07422

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KY4	Download	Experimental	e4ky4A1 e4ky4B3 e4ky4C1 e4ky4D3 e4ky4E3 e4ky4F1 e4ky4G3 e4ky4H1	Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase	LigPlot