PDB ligand accession: GW3
DrugBank: DB07862
PubChem:
ChEMBL:
InChI Key: GCPJCLJGTVTGRF-UHFFFAOYSA-N
SMILES: CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)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 |
---|---|---|---|---|---|
1AOE | Download | Experimental | e1aoeA1 e1aoeB1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |