PDB ligand accession: O15
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XNCYVTKDNMFVND-VIZOYTHASA-N
SMILES: CC(C)(C(=O)O)ON=Cc1ccc(cc1)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: None
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3A80 | Download | Experimental | e3a80A1 | cradle loop barrel | LigPlot |