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 P26831

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7RGA	Download	Experimental	e7rgaA1 e7rgaA2 e7rgaB1 e7rgaA1 e7rgaA2 e7rgaB1 e7rgaB2 e7rgaC1 e7rgaC2 e7rgaD1 e7rgaD2 e7rgaE2 e7rgaG1 e7rgaG2 e7rgaF1 e7rgaF2 e7rgaE1 e7rgaG1 e7rgaG2	jelly-roll Immunoglobulin-like beta-sandwich jelly-roll jelly-roll Immunoglobulin-like beta-sandwich jelly-roll Immunoglobulin-like beta-sandwich jelly-roll Immunoglobulin-like beta-sandwich jelly-roll Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich jelly-roll Immunoglobulin-like beta-sandwich jelly-roll Immunoglobulin-like beta-sandwich jelly-roll jelly-roll Immunoglobulin-like beta-sandwich	LigPlot