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Yorodumi- ChemComp-A90: 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A90 |
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Name | Name: Synonyms: Daltroban |
-Chemical information
Composition | Formula: C16H16ClNO4S / Number of atoms: 39 / Formula weight: 353.821 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A90 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6IIV | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-6iiv:
Crystal structure of the human thromboxane A2 receptor bound to daltroban