PDB ligand accession: MZ4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VEWOLYUNGFMYJI-LBNVMWSVSA-N
SMILES: COc1cccc(c1)S(=O)(=O)N(Cc2cccs2)CC(C(Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O
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 |
---|---|---|---|---|---|
2QI1 | Download | Experimental | e2qi1A1 e2qi1B1 | cradle loop barrel cradle loop barrel | LigPlot |