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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:tipranavir
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Accession:CHEBI:63628 term browser browse the term
Definition:A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.
Synonyms:exact_synonym: N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
 related_synonym: 3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-pyridinesulfonanilide;   Formula=C31H33F3N2O5S;   InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1;   InChIKey=SUJUHGSWHZTSEU-FYBSXPHGSA-N;   SMILES=CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1
 xref: CAS:174484-41-4;   DrugBank:DB00932;   KEGG:D08605
 xref_mesh: MESH:C107201
 xref: PMID:17620375;   PMID:20368406;   PMID:21041916;   PMID:21571982;   PMID:21576452;   PMID:21825300;   PMID:21871444;   PMID:22007990;   PMID:22096044;   PMID:22258921;   PMID:25017682;   Reaxys:7698323



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tipranavir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity
multiple interactions
ISO tipranavir results in decreased activity of ABCB11 protein
tipranavir inhibits the reaction [ABCB11 protein results in increased transport of Taurocholic Acid]
CTD PMID:24014644 PMID:28437613 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730
JBrowse link
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO tipranavir results in decreased activity of ABCB4 protein CTD PMID:28437613 NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        antimicrobial agent 18273
          antiviral agent 11397
            antiviral drug 1995
              tipranavir 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      chalcogen 19588
                        oxygen atom 19560
                          oxygen molecular entity 19560
                            hydroxides 19370
                              oxoacid 18817
                                chalcogen oxoacid 13821
                                  sulfur oxoacid 13613
                                    sulfonic acid 11644
                                      sulfonic acid derivative 11644
                                        sulfonamide 5325
                                          tipranavir 2
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