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Yorodumi- ChemComp-Z90: 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)et... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Z90 |
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Name | Name: Synonyms: 4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid) |
-Chemical information
Composition | Formula: C36H39NO5 / Number of atoms: 81 / Formula weight: 565.699 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z90 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3L6J | ||||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 4 items
PDB-3l6j:
Structure of cinaciguat (bay 58-2667) bound to nostoc H-NOX domain
PDB-5mnw:
Solution structure of the cinaciguat bound human beta1 H-NOX.
PDB-7d9t:
Structure of human soluble guanylate cyclase in the cinciguat-bound inactive state
PDB-7d9u:
Structure of human soluble guanylate cyclase in the cinciguat-bound activated state