PDB ligand accession: TL3
DrugBank: DB04792
PubChem:
ChEMBL: n/a
InChI Key: CDEVHSIVANGYRI-XMTFNYHQSA-N
SMILES: c1cc(ccc1C(=N)N)OC2COC3C2OCC3Oc4ccc(cc4)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Furofurans
- Subclass: Isosorbides
- Class: Furofurans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Y5B | Download | Experimental | e1y5bT1 | cradle loop barrel | LigPlot |