PDB ligand accession: JT6
DrugBank: DB08030
PubChem:
ChEMBL:
InChI Key: XZWFHJUEAVOHHG-UHFFFAOYSA-N
SMILES: c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Biphenyls and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2JT6 | Download | Experimental | e2jt6A1 | Zincin-like | LigPlot |