PDB ligand accession: F71
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: NZSGTDKPVPLULN-KSNOWIBYSA-N
SMILES: CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylbutylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3SA6 | Download | Experimental | e3sa6B1 e3sa6A1 | cradle loop barrel cradle loop barrel | LigPlot |