PDB ligand accession: KGQ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FCLYPCIMVVLLRN-FXSYQQGGSA-N
SMILES: CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)OC3COC4C3CCO4)OCC
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 |
---|---|---|---|---|---|
7MAB | Download | Experimental | e7mabB1 e7mabA1 | cradle loop barrel cradle loop barrel | LigPlot |