PDB ligand accession: 25Z
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DMSXJUBZGKCYAA-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3RPR | Download | Experimental | e3rprA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |