PDB ligand accession: SD5
DrugBank: DB11666
PubChem:
ChEMBL:
InChI Key: CWHUFRVAEUJCEF-UHFFFAOYSA-N
SMILES: c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7R26 | Download | Experimental | e7r26A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |