PDB ligand accession: 9X9
DrugBank: n/a
PubChem: 139030450;145945972;
ChEMBL:
InChI Key: XFGYFQDKMRBURI-UHFFFAOYSA-N
SMILES: COc1ncc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrazines
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6AG2 | Download | Experimental | e6ag2U1 | cradle loop barrel | LigPlot |