PDB ligand accession: AT6
DrugBank: DB07389
PubChem:
ChEMBL:
InChI Key: QINCZVSBLITNRD-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3E68 | Download | Experimental | e3e68A1 e3e68B1 | Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain | LigPlot |