PDB ligand accession: X6D
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IZRXRZKKTJHSGV-UHFFFAOYSA-N
SMILES: c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl
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 |
---|---|---|---|---|---|
2X6D | Download | Experimental | e2x6dA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |