PDB ligand accession: 88Z
DrugBank: DB12307
PubChem:
ChEMBL:
InChI Key: CXQHYVUVSFXTMY-UHFFFAOYSA-N
SMILES: COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Ethers
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5IA4 | Download | Experimental | e5ia4A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |