Ligand name: N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid
PDB ligand accession: 2XB
DrugBank: n/a
PubChem: 11112422;135427303;
ChEMBL: CHEMBL2426247
InChI Key: VDHBMZRBPMTLGE-LBPRGKRZSA-N
SMILES: c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)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
4Q0E	Download	Experimental	e4q0eA1 e4q0eB3 e4q0eC3 e4q0eD1 e4q0eE1	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot
4Q0D	Download	Experimental	e4q0dE2 e4q0dA2 e4q0dB2 e4q0dC2 e4q0dD2	Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase	LigPlot