PDB ligand accession: F53
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KOYHHSRUNXTXFB-WNJKUOTESA-N
SMILES: CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO
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 |
---|---|---|---|---|---|
7MA8 | Download | Experimental | e7ma8B1 e7ma8A1 | cradle loop barrel cradle loop barrel | LigPlot |