PDB ligand accession: 1KL
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JBCLOAAJLMUGLP-QOCHGBHMSA-N
SMILES: CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)CSC3=C(C#N)C(=O)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5HIN | Download | Experimental | e5hinA1 | TIM beta/alpha-barrel | LigPlot |