PDB ligand accession: BWR
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ONQHIHGODGGUGU-UHFFFAOYSA-N
SMILES: c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Benzylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6JOF | Download | Experimental | e6jofA1 | alpha/beta knot | LigPlot |