PDB ligand accession: 3LG
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VWRBPASGKKTVFT-AREMUKBSSA-N
SMILES: COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2G26 | Download | Experimental | e2g26B2 e2g26B3 | cradle loop barrel cradle loop barrel | LigPlot |