PDB ligand accession: QYD
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PNYRURHCCDDZLP-MRXNPFEDSA-N
SMILES: c1ccc(cc1)C2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiazinanes
- Subclass: Thiomorpholines
- Class: Thiazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5ALP | Download | Experimental | e5alpA2 | alpha/beta-Hydrolases | LigPlot |