PDB ligand accession: 7X3
DrugBank: DB07251
PubChem:
ChEMBL:
InChI Key: ZVWFECUPYCFYBL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VWV | Download | Experimental | e2vwvA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |