PDB ligand accession: A25
DrugBank: DB07311
PubChem:
ChEMBL:
InChI Key: JRSWWYITYIOHOP-UHFFFAOYSA-N
SMILES: c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2
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 |
---|---|---|---|---|---|
2E9U | Download | Experimental | e2e9uA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |