PDB ligand accession: 3OR
DrugBank: DB12933
PubChem:
ChEMBL:
InChI Key: FIMYFEGKMOCQKT-UHFFFAOYSA-N
SMILES: c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO
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 |
---|---|---|---|---|---|
3ORN | Download | Experimental | e3ornA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |