PDB ligand accession: KA5
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZQYDKYDSKVGDJP-UHFFFAOYSA-N
SMILES: COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)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 |
---|---|---|---|---|---|
3JSU | Download | Experimental | e3jsuA2 e3jsuB2 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |