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Yorodumi- ChemComp-479: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 479 |
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Name | Name: |
-Chemical information
Composition | Formula: C15H16N2O2S / Number of atoms: 36 / Formula weight: 288.365 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 479 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Y47 | ||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 4 items
PDB-4y47:
Endothiapepsin in complex with fragment 162
PDB-5rpj:
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a
PDB-6ze4:
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
PDB-6zfk:
Trypsin inhibitor in complex with bovine trypsin