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Yorodumi- ChemComp-TSX: N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLM... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TSX |
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Name | Name: Synonyms: 1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE |
-Chemical information
Composition | Formula: C21H25N5O3 / Number of atoms: 54 / Formula weight: 395.455 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TSX / Model coordinates PDB-ID: 1M51 | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-1m51:
PEPCK complex with a GTP-competitive inhibitor