PDB ligand accession: VW1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JHIGQTTZYWLCKT-UHFFFAOYSA-N
SMILES: CC(C(=O)N)Oc1ccc(cc1)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RLG | Download | Experimental | e5rlgB6 | P-loop domains-like | LigPlot |