PDB ligand accession: W42
DrugBank: DB08721
PubChem:
ChEMBL:
InChI Key: JLSNWEWWUSOSMP-UHFFFAOYSA-N
SMILES: c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1R08 | Download | Experimental | e1r0811 e1r0831 | jelly-roll jelly-roll | LigPlot |