PDB ligand accession: TOP
DrugBank: DB00440
PubChem:
ChEMBL:
InChI Key: IEDVJHCEMCRBQM-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
Drug action: inhibitor
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 |
---|---|---|---|---|---|
6XG4 | Download | Experimental | e6xg4A1 | Dihydrofolate reductases | LigPlot |
6RUL | Download | Experimental | e6rulA1 | Dihydrofolate reductases | LigPlot |
6RUM | Download | Experimental | e6rumA1 e6rumA2 | Dihydrofolate reductases Immunoglobulin-like beta-sandwich | LigPlot |
6XG5 | Download | Experimental | e6xg5A1 | Dihydrofolate reductases | LigPlot |
7NAE | Download | Experimental | e7naeA1 | Dihydrofolate reductases | LigPlot |