PDB ligand accession: JB9
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: WAFWFCVAGPTDEW-ORJNFUHYSA-N
SMILES: CC(=O)NC1C(C(C(OC1OCC=C)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C=CCN=C(N)N)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5MWT | Download | Experimental | e5mwtA1 e5mwtB1 | jelly-roll jelly-roll | LigPlot |