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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
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Accession:CHEBI:31536 term browser browse the term
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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emtricitabine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alb albumin affects binding ISO Emtricitabine binds to ALB protein CTD PMID:15814459, PMID:16336266 NCBI chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
JBrowse link
G 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 chr20:6,348,422...6,358,864
Ensembl chr20:6,351,458...6,358,864
JBrowse link
G 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 chr14:20,935,442...20,952,939
Ensembl chr14:20,935,369...20,953,095
JBrowse link
G 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 1:48,880,015...50,069,998 JBrowse link
G Tp53 tumor protein p53 multiple interactions ISO [Emtricitabine co-treated with Tenofovir] results in increased expression of TP53 protein CTD PMID:31545371 NCBI chr10:56,186,299...56,198,449
Ensembl chr10:56,187,020...56,198,449
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      biological role 19737
        antimicrobial agent 17329
          antiviral agent 10254
            antiviral drug 1827
              emtricitabine 5
                Descovy 0
                Genvoya 0
                Odefsey 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            heteroorganic entity 19165
                              organochalcogen compound 18873
                                organooxygen compound 18795
                                  carbohydrates and carbohydrate derivatives 12193
                                    carbohydrate 12193
                                      carbohydrate derivative 11814
                                        glycosyl compound 10854
                                          N-glycosyl compound 5331
                                            nucleoside analogue 702
                                              emtricitabine 5
                                                Descovy 0
                                                Genvoya 0
                                                Odefsey 0
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