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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 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
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 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      biological role 19792
        antimicrobial agent 17383
          antiviral agent 10263
            antiviral drug 1834
              tipranavir 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      chalcogen 19425
                        oxygen atom 19387
                          oxygen molecular entity 19387
                            hydroxides 19113
                              oxoacid 18243
                                chalcogen oxoacid 11491
                                  sulfur oxoacid 11095
                                    sulfonic acid 7347
                                      sulfonic acid derivative 7347
                                        sulfonamide 3181
                                          tipranavir 2
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