Ligand name: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
PDB ligand accession: CB3
DrugBank: DB03541
PubChem: 443388;5281971;135438608;
ChEMBL: CHEMBL389051
InChI Key: LTKHPMDRMUCUEB-IBGZPJMESA-N
SMILES: C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q5CGA3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DL5	Download	Experimental	e3dl5A1 e3dl5B3 e3dl5C1 e3dl5D1 e3dl5E1	Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase	LigPlot
3HJ3	Download	Experimental	e3hj3A1 e3hj3B1 e3hj3D3 e3hj3C2	Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase	LigPlot
2OIP	Download	Experimental	e2oipA2 e2oipB2 e2oipC1 e2oipD2 e2oipE2	Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase	LigPlot
3DL6	Download	Experimental	e3dl6A3 e3dl6B1 e3dl6C3 e3dl6D1 e3dl6E3	Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase	LigPlot