PDB ligand accession: KTW
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: AUJLCQAASPMATD-UHFFFAOYSA-N
SMILES: c1cc2c(cc(s2)C(=N)N)c(c1)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiophenes
- Subclass: 1-benzothiophenes
- Class: Benzothiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6S40 | Download | Experimental | e6s40A1 | Repetitive alpha hairpins | LigPlot |