PDB ligand accession: G08
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VYMACSGLMLFUSD-GAYSTUHSSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N
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 |
---|---|---|---|---|---|
4I8Z | Download | Experimental | e4i8zA1 e4i8zB1 | cradle loop barrel cradle loop barrel | LigPlot |