PDB ligand accession: 5BP
DrugBank: DB07164
PubChem:
ChEMBL:
InChI Key: CAGHIASAHLPQMS-UHFFFAOYSA-N
SMILES: c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3EJ1 | Download | Experimental | e3ej1A1 e3ej1C1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |