PDB ligand accession: 38C
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JWXHIZDIJHFSIP-UHFFFAOYSA-N
SMILES: COc1ccc(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 |
---|---|---|---|---|---|
4P8K | Download | Experimental | e4p8kA1 e4p8kA2 e4p8kB1 e4p8kB2 | FAD-binding domain-like Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits | LigPlot |
4P8Y | Download | Experimental | e4p8yA1 e4p8yA2 | FAD-binding domain-like Alpha-beta plaits | LigPlot |