PDB ligand accession: PIN
DrugBank: n/a
PubChem: 79723;6992709;
ChEMBL: n/a
InChI Key: IHPYMWDTONKSCO-UHFFFAOYSA-N
SMILES: C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5OFK | Download | Experimental | e5ofkA1 | TIM beta/alpha-barrel | LigPlot |