PDB ligand accession: XHS
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KAOYHQWWTGUIBS-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7L25 | Download | Experimental | e7l25A1 e7l25B1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |