PDB ligand accession: TQD
DrugBank: DB08642
PubChem:
ChEMBL: n/a
InChI Key: JJWPLCQODKLEHY-JEOXALJRSA-N
SMILES: CN(CC1CCC2=C(C1)C(=NC(N2)N)N)c3cc(c(c(c3)OC)OC)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1S3U | Download | Experimental | e1s3uA1 | Dihydrofolate reductases | LigPlot |
1S3V | Download | Experimental | e1s3vA1 | Dihydrofolate reductases | LigPlot |