PDB ligand accession: K53
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ACRHTKSQCOUKAC-LBGGBARHSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5
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 |
---|---|---|---|---|---|
3MXD | Download | Experimental | e3mxdA1 e3mxdB1 | cradle loop barrel cradle loop barrel | LigPlot |