PDB ligand accession: G05
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: JRXDKTCILCAIFM-XVYWXRPESA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC
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 |
---|---|---|---|---|---|
3DK1 | Download | Experimental | e3dk1A1 e3dk1B1 | cradle loop barrel cradle loop barrel | LigPlot |