PDB ligand accession: BQ5
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: AITOIMRCVCWDAG-UHFFFAOYSA-N
SMILES: c1ccc(cc1)n2c3c(c(n2)CN)CCC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6EPM | Download | Experimental | e6epmS1 | Repetitive alpha hairpins | LigPlot |