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ONTOLOGY REPORT - ANNOTATIONS


Term:saquinavir
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Accession:CHEBI:63621 term browser browse the term
Definition:An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.
Synonyms:exact_synonym: N(1)-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N(2)-(quinolin-2-ylcarbonyl)-L-aspartamide
 related_synonym: Formula=C38H50N6O5;   Fortovase;   InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1;   InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N;   SMILES=[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C
 alt_id: CHEBI:9028
 xref: CAS:127779-20-8 "ChemIDplus";   CAS:127779-20-8 "KEGG DRUG";   DrugBank:DB01232;   KEGG:D00429;   LINCS:LSM-2205
 xref_mesh: MESH:D019258
 xref: PMID:21135186 "Europe PMC";   PMID:21600016 "Europe PMC";   PMID:21683096 "Europe PMC";   PMID:21819645 "Europe PMC";   PMID:21819804 "Europe PMC";   PMID:22024400 "Europe PMC";   PMID:22104402 "Europe PMC";   PMID:22136805 "Europe PMC";   PMID:22150669 "Europe PMC";   PMID:22159894 "Europe PMC";   Patent:EP432695;   Patent:US5196438;   Reaxys:5469491 "Reaxys";   Wikipedia:Saquinavir


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saquinavir term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G ABCC2 ATP binding cassette subfamily C member 2 JBrowse link 28 12,670,885 12,740,124 RGD:6480464

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Path 1
Term Annotations click to browse term
  CHEBI ontology 223
    role 223
      biological role 223
        antimicrobial agent 107
          antiviral agent 11
            antiviral drug 9
              saquinavir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 223
    subatomic particle 223
      composite particle 223
        hadron 223
          baryon 223
            nucleon 223
              atomic nucleus 223
                atom 223
                  main group element atom 216
                    p-block element atom 216
                      carbon group element atom 205
                        carbon atom 204
                          organic molecular entity 204
                            organic group 153
                              organic divalent group 152
                                organodiyl group 152
                                  carbonyl group 152
                                    carbonyl compound 152
                                      carboxylic acid 112
                                        carboacyl group 47
                                          univalent carboacyl group 47
                                            carbamoyl group 44
                                              carboxamide 44
                                                dicarboxylic acid amide 4
                                                  dicarboxylic acid monoamide 1
                                                    asparagine 1
                                                      L-asparagine 1
                                                        L-asparagine derivative 1
                                                          saquinavir 1
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