PDB ligand accession: 2JX
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WDUGNJIRKJHDNF-QMMMGPOBSA-N
SMILES: c1ccc2c(c1)OCC(O2)C3=NNC(=S)N3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzodioxanes
- Subclass: Benzo-1,4-dioxanes
- Class: Benzodioxanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4NI1 | Download | Experimental | e4ni1A1 e4ni1A1 e4ni1B1 | Globin-like Globin-like Globin-like | LigPlot |