PDB ligand accession: R3M
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LPSYXQPVOZLKRL-VWIMFXPFSA-N
SMILES: CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)COC6C(C(C(C(O6)CO)O)O)O)N(CC)CC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrans
- Subclass: 1-benzopyrans
- Class: Benzopyrans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5Z5P | Download | Experimental | e5z5pA1 e5z5pB1 | jelly-roll jelly-roll | LigPlot |
4P9W | Download | Experimental | e4p9wA1 e4p9wB1 e4p9wC1 e4p9wD1 | jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |