PDB ligand accession: B8L
DrugBank: DB02155
PubChem:
ChEMBL: n/a
InChI Key: XVLMXAUKCDSMMW-YXLARRHKSA-N
SMILES: CCC(C)c1cc(ccc1O)C(=O)NC2CNCCCC2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzophenones
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1REK | Download | Experimental | e1rekA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |