PDB ligand accession: X84
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: IFKSVNMHRIABRM-UHFFFAOYSA-N
SMILES: c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3R6X | Download | Experimental | e3r6xA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |