PDB ligand accession: 1DN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WHHHBZDVDZWFFO-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N
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 |
---|---|---|---|---|---|
4LEK | Download | Experimental | e4lekX1 | Dihydrofolate reductases | LigPlot |