PDB ligand accession: N8Z
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JETJARLUFXKWGL-UHFFFAOYSA-N
SMILES: CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organohalogen compounds
- Class: Aryl halides
- Subclass: Aryl chlorides
- Class: Aryl halides
- Superclass: Organohalogen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6TGI | Download | Experimental | e6tgiA1 e6tgiB1 | Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase | LigPlot |