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Yorodumi- ChemComp-E9L: (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyrid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: E9L |
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Name | Name: ( |
-Chemical information
Composition | Formula: C16H15N2O / Number of atoms: 34 / Formula weight: 251.303 / Formal charge: 1 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E9L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UX4 | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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-4ux4:
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium