PDB ligand accession: 18X
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LPVBNESBSNMJKY-JXAWBTAJSA-N
SMILES: COC(=O)C(=C1N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)C#N
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 |
---|---|---|---|---|---|
4ZL1 | Download | Experimental | e4zl1A1 | TIM beta/alpha-barrel | LigPlot |