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Yorodumi- ChemComp-GHJ: (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: GHJ |
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Name | Name: ( |
-Chemical information
Composition | Formula: C29H53N5O7S / Number of atoms: 95 / Formula weight: 615.825 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GHJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DHC / Subcomponent: GH7, SMC, 1OL, VAL, IBN | ||||
History |
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External links | UniChem / ChemSpider / PubChem / 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 2.0.6 | |
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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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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-6dhc:
X-ray structure of BACE1 in complex with a bicyclic isoxazoline carboxamide as the P3 ligand