PDB ligand accession: NDJ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VCRXDLDGTLMSHK-XFWSIPNHSA-N
SMILES: CCCCNC(=S)N1CC(C(C(C1CO)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 |
---|---|---|---|---|---|
3WF2 | Download | Experimental | e3wf2A1 e3wf2A2 e3wf2B1 e3wf2B2 e3wf2C1 e3wf2C2 e3wf2D1 e3wf2D2 | 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 |