PDB ligand accession: F72
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ZALSSBYFYBCJII-URLMMPGGSA-N
SMILES: c1ccc(cc1)CC(C(CN(CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O
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 |
---|---|---|---|---|---|
3SA4 | Download | Experimental | e3sa4B1 e3sa4A1 | cradle loop barrel cradle loop barrel | LigPlot |