PDB ligand accession: HWY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MCFYAJCOYWLLEO-YGMVDIOKSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CC3C(C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC
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 |
---|---|---|---|---|---|
6E7J | Download | Experimental | e6e7jA1 e6e7jB1 | cradle loop barrel cradle loop barrel | LigPlot |