PDB ligand accession: P45
DrugBank: DB08354
PubChem:
ChEMBL:
InChI Key: QCVULERVJOYHCP-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Triazines
- Subclass: Aminotriazines
- Class: Triazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2PVK | Download | Experimental | e2pvkA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |