PDB ligand accession: R57
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JKKOLPWDKQDVJE-UHFFFAOYSA-N
SMILES: COc1ccc(cc1F)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 |
---|---|---|---|---|---|
4P8N | Download | Experimental | e4p8nA1 e4p8nA2 e4p8nB1 e4p8nB2 | FAD-binding domain-like Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits | LigPlot |