PDB ligand accession: 3KR
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JMZMOQBVAXNXIQ-UHFFFAOYSA-N
SMILES: COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylethers
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3KRY | Download | Experimental | e3kryA1 e3kryB1 e3kryC1 e3kryD1 | Zincin-like Zincin-like Zincin-like Zincin-like | LigPlot |