PDB ligand accession: 5H3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QJSHZJYEBIUVCD-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)F)CCNCc2cccc(c2)NC(=N)c3cccs3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KCR | Download | Experimental | e4kcrA1 e4kcrB1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |