PDB ligand accession: JST
DrugBank: DB08028
PubChem: 4636204;135521746;
ChEMBL: n/a
InChI Key: ZVZPCRKQNRRBOQ-UHFFFAOYSA-N
SMILES: C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1JH1 | Download | Experimental | e1jh1A1 | Zincin-like | LigPlot |