PDB ligand accession: IRE
DrugBank: DB00317
PubChem:
ChEMBL:
InChI Key: XGALLCVXEZPNRQ-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
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 |
---|---|---|---|---|---|
5Y7Z | Download | Experimental | e5y7zA1 e5y7zB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5Y80 | Download | Experimental | e5y80A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |