PDB ligand accession: DJK
DrugBank: DB07662
PubChem:
ChEMBL:
InChI Key: HTUBKQUPEREOGA-UHFFFAOYSA-N
SMILES: C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3LOK | Download | Experimental | e3lokA1 e3lokB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
2HWP | Download | Experimental | e2hwpA1 e2hwpB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |