+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VX8 |
---|---|
Name | Name: Synonyms: 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid; VX-809 |
-Chemical information
Composition | Formula: C24H18F2N2O5 / Number of atoms: 51 / Formula weight: 452.407 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: VX8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7SVD | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
---|
-PDB entries
Showing all 3 items
PDB-7svd:
The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Lumacaftor (VX-809)
PDB-7svr:
The complex of dephosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) and Lumacaftor (VX-809)
PDB-8eio:
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg