PDB ligand accession: RB7
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ODRAFWBQWMPBEH-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1Br)CNCCS(=O)(=O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5R24 | Download | Experimental | e5r24A1 e5r24A2 | cradle loop barrel cradle loop barrel | LigPlot |
5RC4 | Download | Experimental | e5rc4A1 e5rc4A2 | cradle loop barrel cradle loop barrel | LigPlot |