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Yorodumi- ChemComp-H9Y: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluoro... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: H9Y |
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Name | Name: |
-Chemical information
Composition | Formula: C21H14F2N4O4 / Number of atoms: 45 / Formula weight: 424.357 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H9Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DTW | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / 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-6dtw:
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
PDB-6dtx:
Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578
PDB-8stu:
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor