PDB ligand accession: 1QN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UEPOHWWKVBWCFV-UHFFFAOYSA-N
SMILES: CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KB8 | Download | Experimental | e4kb8A1 e4kb8C1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |