Ligand name: TRIMETREXATE
PDB ligand accession: TMQ
DrugBank: DB01157
PubChem: 5582;59961053;
ChEMBL: n/a
InChI Key: NOYPYLRCIDNJJB-UHFFFAOYSA-O
SMILES: Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O76290

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2X9V	Download	Experimental	e2x9vA1 e2x9vB1 e2x9vC1 e2x9vD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot