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Yorodumi- ChemComp-JKA: (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JKA |
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Name | Name: ( |
-Chemical information
Composition | Formula: C9H17NO4S / Number of atoms: 32 / Formula weight: 235.301 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JKA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QFW | ||||
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 3 items
PDB-5qfr:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000497a
PDB-5qfw:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000497a
PDB-7fqn:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000497a