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

ClassyFire chemical classification:

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

List of proteins that are targets for DB01157

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P00381_TMQ	P00381	Dihydrofolate reductase (EC	n/a	IC50(nM) = 27.0
2	Q27793_TMQ	Q27793	Bifunctional dihydrofolate reductase-thymidylate	n/a	Ki(nM) = 6.6 IC50(nM) = 20.2
3	O76290_TMQ	O76290	Pteridine reductase	n/a
4	P0A546_TMQ	P0A546	Dihydrofolate reductase (EC	n/a
5	Q8T5T8_TMQ	Q8T5T8	Bifunctional dihydrofolate reductase-thymidylate	n/a
6	P71968_TMQ	P71968	Bacterial bifunctional deaminase-reductase	n/a