PDB ligand accession: 15A
DrugBank: n/a
PubChem: 10036366;135440292;
ChEMBL:
InChI Key: ZLIQDFHJGBHZAQ-JWXFUTCRSA-N
SMILES: C(CN=C1C(C(C(C(N1)CO)O)O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Hydropyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VQT | Download | Experimental | e2vqtA1 e2vqtA5 e2vqtB1 e2vqtB5 | jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel | LigPlot |