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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 chr14:17,891,564...17,907,043
Ensembl chr14:17,891,582...17,911,865 		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 chr20:7,150,820...7,161,373
Ensembl chr20:7,153,958...7,164,969 		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 chr14:19,589,298...19,610,326
Ensembl chr14:19,589,298...19,610,326 		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 1:51,236,410...52,430,242
Ensembl chr 1:51,210,330...52,430,304 		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 chr10:54,798,871...54,810,300
Ensembl chr10:54,798,851...54,810,299 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        antimicrobial agent 18578
          antiviral agent 11455
            antiviral drug 2031
              emtricitabine 5
                Descovy 0
                Genvoya 0
                Odefsey 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            heteroorganic entity 20219
                              organochalcogen compound 19904
                                organooxygen compound 19806
                                  carbohydrates and carbohydrate derivatives 15487
                                    carbohydrate 15487
                                      carbohydrate derivative 14459
                                        glycosyl compound 13167
                                          N-glycosyl compound 5902
                                            nucleoside analogue 963
                                              emtricitabine 5
                                                Descovy 0
                                                Genvoya 0
                                                Odefsey 0
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