PDB ligand accession: 400
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BGKRQXRINOKEMF-OAQYLSRUSA-N
SMILES: CCC(c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)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 |
---|---|---|---|---|---|
2XRU | Download | Experimental | e2xruA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |