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Yorodumi- ChemComp-ET9: [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methyli... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ET9 |
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Name | Name: [[( Synonyms: Entecavir 5'-triphosphate |
-Chemical information
Composition | Formula: C12H18N5O12P3 / Number of atoms: 50 / Formula weight: 517.219 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ET9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5XN1 | ||||||||
History |
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External links | UniChem / ChemSpider / PubChem / PubChem_TPharma / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 4 items
PDB-5xn1:
HIV-1 reverse transcriptase Q151M:DNA:entecavir-triphosphate ternary complex
PDB-6ika:
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex
PDB-6kdm:
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:entecavir 5'-triphosphate ternary complex
PDB-8x21:
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex