PDB ligand accession: VEK
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QWRJMSZUKHRINI-UHFFFAOYSA-N
SMILES: Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br
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 |
---|---|---|---|---|---|
4B0G | Download | Experimental | e4b0gA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |