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Yorodumi- ChemComp-WJX: (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluor... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: WJX | ||
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Name | Name: ( Synonyms: Elexacaftor Comment | medication*YM | |
-Chemical information
Composition | Formula: C26H34F3N7O4S / Number of atoms: 75 / Formula weight: 597.653 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: WJX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8EIG | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / HMDB / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | ~{ | |
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-PDB entries
Showing all 3 items
PDB-8eig:
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg
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
PDB-8eiq:
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg