PDB ligand accession: 6HF
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LPJIGUIJJBQRTQ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5J9L | Download | Experimental | e5j9lA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |