PDB ligand accession: TOP
DrugBank: DB00440
PubChem:
ChEMBL:
InChI Key: IEDVJHCEMCRBQM-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: Anisoles
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KM2 | Download | Experimental | e4km2A1 e4km2B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
1DG5 | Download | Experimental | e1dg5A1 | Dihydrofolate reductases | LigPlot |