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Yorodumi- ChemComp-BXQ: (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxyp... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BXQ |
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Name | Name: ( |
-Chemical information
Composition | Formula: C26H34F4N2O4S / Number of atoms: 71 / Formula weight: 546.618 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BXQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4D88 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-4d88:
Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490