PDB ligand accession: AV9
DrugBank: DB11800
PubChem:
ChEMBL:
InChI Key: SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES: CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1
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 |
---|---|---|---|---|---|
4ASE | Download | Experimental | e4aseA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |