PDB ligand accession: 5FI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FBLPQCAQRNSVHB-UHFFFAOYSA-N
SMILES: CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F
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 |
---|---|---|---|---|---|
3WE4 | Download | Experimental | e3we4A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |