PDB ligand accession: 190
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RVHWPGAHEOLZNT-YTCPBCGMSA-N
SMILES: Cc1cccc(c1OCC(=O)NC(Cc2cccc(c2)Br)C(CC(CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1XL5 | Download | Experimental | e1xl5B1 e1xl5A1 | cradle loop barrel cradle loop barrel | LigPlot |