PDB ligand accession: 2NR
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZDYXRELDNKSUBF-UHFFFAOYSA-N
SMILES: COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzoxazoles
- Subclass: None
- Class: Benzoxazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4NW5 | Download | Experimental | e4nw5A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |