PDB ligand accession: 49O
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QSMNQUURWIAXAA-UHFFFAOYSA-N
SMILES: c1cc(c(nc1)N2CCNCC2)C#N
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 |
---|---|---|---|---|---|
4Y2R | Download | Experimental | e4y2rA1 | alpha/beta-Hydrolases | LigPlot |