PDB ligand accession: FLW
DrugBank: DB19169
PubChem:
ChEMBL:
InChI Key: JYYLVUFNAHSSFE-UHFFFAOYSA-N
SMILES: CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F
Drug action: inhibitor
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 |
---|---|---|---|---|---|
3FLW | Download | Experimental | e3flwA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |