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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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        antimicrobial agent 17472
          antiviral agent 10459
            antiviral drug 1900
              tipranavir 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      chalcogen 19450
                        oxygen atom 19423
                          oxygen molecular entity 19423
                            hydroxides 19158
                              oxoacid 18472
                                chalcogen oxoacid 11498
                                  sulfur oxoacid 11106
                                    sulfonic acid 7371
                                      sulfonic acid derivative 7371
                                        sulfonamide 3196
                                          tipranavir 2
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