PDB ligand accession: XEB
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: SVDORCPNIHFYFA-UHFFFAOYSA-N
SMILES: CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Aminoquinolines and derivatives
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5ADE | Download | Experimental | e5adeA1 e5adeB1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |
5ADB | Download | Experimental | e5adbA1 e5adbB1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |