PDB ligand accession: 5B4
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YLLMKENFMVEIDG-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyrazolylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5DG5 | Download | Experimental | e5dg5A1 e5dg5B1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |