PDB ligand accession: JI2
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BETYXZSFUFTOLC-GXSJLCMTSA-N
SMILES: c1cc(nc(c1)N)CC2CNCC2NCCN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Aminopyridines and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3DQR | Download | Experimental | e3dqrA1 e3dqrB1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |
3B3N | Download | Experimental | e3b3nA1 e3b3nB1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |