PDB ligand accession: BW1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: HXYMFZXSIIYFTR-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)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 |
---|---|---|---|---|---|
5N66 | Download | Experimental | e5n66A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |