Ligand name: METHOTREXATE
PDB ligand accession: MTX
DrugBank: DB00563
PubChem: 126941
ChEMBL: CHEMBL34259
InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N
SMILES: CN(Cc1cnc2c(n1)c(nc(n2)N)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
4KY8	Download	Experimental	e4ky8A2 e4ky8B2 e4ky8C2 e4ky8D2 e4ky8E2	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot
3HJ3	Download	Experimental	e3hj3A2 e3hj3B3 e3hj3C1 e3hj3D2	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot
4Q0D	Download	Experimental	e4q0dE1 e4q0dA1 e4q0dB1 e4q0dC1 e4q0dD1	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot
2OIP	Download	Experimental	e2oipA3 e2oipB3 e2oipC2 e2oipD3 e2oipE3	Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases	LigPlot