PDB ligand accession: K0E
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CEBMEQPREMCWOL-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6RCG | Download | Experimental | e6rcgA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |