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 Q94C74

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6SMN	Download	Experimental	e6smnA1 e6smnA2 e6smnB2 e6smnD1 e6smnA1 e6smnA2 e6smnB1 e6smnB2 e6smnC2 e6smnA1 e6smnA2 e6smnC2 e6smnD1 e6smnD2	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases	LigPlot