PDB ligand accession: R58
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GGCSQMNZKHRBJW-UHFFFAOYSA-N
SMILES: CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O
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 |
---|---|---|---|---|---|
4P8M | Download | Experimental | e4p8mA1 e4p8mA2 e4p8mB1 e4p8mB2 | Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits FAD-binding domain-like | LigPlot |