PDB ligand accession: TL2
DrugBank: DB04791
PubChem:
ChEMBL: n/a
InChI Key: DKBAWRNTUZFJKV-BSDSXHPESA-N
SMILES: [H]N=C(c1ccc(cc1)OC2COC3C2OCC3Oc4cccc(c4)C(=N)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 |
---|---|---|---|---|---|
1Y5A | Download | Experimental | e1y5aT1 | cradle loop barrel | LigPlot |