PDB ligand accession: D78
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DDUYAVRQCCSESZ-NHKHRBQYSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)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 |
---|---|---|---|---|---|
3GI6 | Download | Experimental | e3gi6A1 e3gi6B1 | cradle loop barrel cradle loop barrel | LigPlot |