PDB ligand accession: 64B
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XAORSEKHZCMSPW-LCYFTJDESA-N
SMILES: COc1ccc(c(c1)F)N2C(=O)CSC2=C(C#N)C(=O)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5HQE | Download | Experimental | e5hqeA1 | TIM beta/alpha-barrel | LigPlot |