PDB ligand accession: 9P4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GIUCGMWNASMMOJ-UHFFFAOYSA-N
SMILES: c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F
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 |
---|---|---|---|---|---|
5VV2 | Download | Experimental | e5vv2A1 e5vv2B1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |