PDB ligand accession: NW1
DrugBank: DB08312
PubChem:
ChEMBL:
InChI Key: DGWXOLHKVGDQLN-UHFFFAOYSA-N
SMILES: C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
1E1X | Download | Experimental | e1e1xA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |