PDB ligand accession: T4Q
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GHSJGVJIDUIVOP-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Thioethers
- Subclass: Aryl thioethers
- Class: Thioethers
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7B9R | Download | Experimental | e7b9rA1 | Repetitive alpha hairpins | LigPlot |