PDB ligand accession: IRG
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WCANXWUISJCJOB-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N
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 |
|---|---|---|---|---|---|
| 4EH7 | Download | Experimental | e4eh7A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH6 | Download | Experimental | e4eh6A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH8 | Download | Experimental | e4eh8A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH4 | Download | Experimental | e4eh4A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH2 | Download | Experimental | e4eh2A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH3 | Download | Experimental | e4eh3A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EHV | Download | Experimental | e4ehvA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH9 | Download | Experimental | e4eh9A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4DLI | Download | Experimental | e4dliA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4EH5 | Download | Experimental | e4eh5A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |