PDB ligand accession: E46
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OZAALIWIRMBCOR-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Triazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4A7C | Download | Experimental | e4a7cA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |