CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: emtricitabine
Accession: CHEBI:31536
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Definition: An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection.
Synonyms: related_synonym: (-)-2'-deoxy-5-fluoro-3'-thiacytidine; (-)-FTC; (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine; (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; (2R-cis)-4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; Formula=C8H10FN3O3S; InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1; InChIKey=XQSPYNMVSIKCOC-NTSWFWBYSA-N; SMILES=Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1
alt_id: CHEBI:174911
xref: Beilstein:5908714; CAS:143491-57-0; DrugBank:DB00879; Drug_Central:1003; KEGG:C12599; KEGG:D01199
xref_mesh: MESH:D000068679
xref: PDBeChem:ETV; PMID:11491420; PMID:14609348; PMID:14693538; PMID:15206508; PMID:15249567; PMID:15588339; PMID:15875341; PMID:15977972; PMID:16034488; PMID:16323102; PMID:16401810; PMID:17526857; PMID:19493710; PMID:22915463; PMID:22917277; PMID:22935078; PMID:23337366; PMID:23361642; PMID:25017682; Patent:US5538975; Patent:WO9214743; Wikipedia:Emtricitabine
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Alb
albumin
affects binding
ISO
Emtricitabine binds to ALB protein
CTD
PMID:15814459 PMID:16336266
NCBI chr14:17,607,397...17,622,814
Ensembl chr14:17,607,381...17,622,836
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Cdkn1a
cyclin-dependent kinase inhibitor 1A
multiple interactions
ISO
[Emtricitabine co-treated with Tenofovir] results in increased expression of CDKN1A protein
CTD
PMID:31545371
NCBI chr20:7,149,177...7,159,727
Ensembl chr20:7,149,217...7,159,585
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Dck
deoxycytidine kinase
multiple interactions affects binding
ISO
DCK protein results in increased phosphorylation of and results in increased activity of Emtricitabine Emtricitabine binds to DCK protein
CTD
PMID:17530837
NCBI chr14:19,305,218...19,326,247
Ensembl chr14:19,305,218...19,326,247
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Prkn
parkin RBR E3 ubiquitin protein ligase
decreases expression multiple interactions
ISO
Emtricitabine results in decreased expression of PRKN protein [Emtricitabine co-treated with Tenofovir] results in decreased expression of PRKN protein
CTD
PMID:31545371
NCBI chr 1:48,688,651...49,882,520
Ensembl chr 1:48,690,556...49,882,555
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Tp53
tumor protein p53
multiple interactions
ISO
[Emtricitabine co-treated with Tenofovir] results in increased expression of TP53 protein
CTD
PMID:31545371
NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524
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