PDB ligand accession: 6DJ
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: JBCYQOOELVARNJ-XUYWLAQHSA-N
SMILES: CCCCN=C1N2CC(C(C(C2CS1)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: None
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3WF4 | Download | Experimental | e3wf4A1 e3wf4A2 e3wf4B1 e3wf4B2 e3wf4C1 e3wf4C2 e3wf4D1 e3wf4D2 | TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll | LigPlot |
3WF0 | Download | Experimental | e3wf0A1 e3wf0A2 e3wf0B1 e3wf0B2 e3wf0C1 e3wf0C2 e3wf0D1 e3wf0D2 | TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll | LigPlot |