PDB ligand accession: NSJ
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: NSDQSEGFFDPDRA-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)O)CN2CCSCC2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5S4Y | Download | Experimental | e5s4yA1 e5s4yB1 e5s4yB2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |