PDB ligand accession: W91
DrugBank: DB08728
PubChem:
ChEMBL:
InChI Key: TUGBWRGTMLOFAX-UHFFFAOYSA-N
SMILES: Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl
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 |
---|---|---|---|---|---|
2HWB | Download | Experimental | e2hwb11 e2hwb31 | jelly-roll jelly-roll | LigPlot |