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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: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;   DrugBank:DB01232;   KEGG:D00429;   LINCS:LSM-2205
 xref_mesh: MESH:D019258
 xref: PMID:21135186;   PMID:21600016;   PMID:21683096;   PMID:21819645;   PMID:21819804;   PMID:22024400;   PMID:22104402;   PMID:22136805;   PMID:22150669;   PMID:22159894;   Patent:EP432695;   Patent:US5196438;   Reaxys:5469491;   Wikipedia:Saquinavir


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saquinavir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ABCC2 ATP binding cassette subfamily C member 2 affects transport EXP ABCC2 protein affects the transport of Saquinavir CTD PMID:12702717 NCBI chr28:12,670,885...12,740,124
Ensembl chr28:12,670,885...12,740,740 		JBrowse link
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Term Annotations click to browse term
  CHEBI ontology 495
    role 495
      biological role 495
        antimicrobial agent 122
          antiviral agent 12
            antiviral drug 9
              saquinavir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 495
    subatomic particle 495
      composite particle 495
        hadron 495
          baryon 495
            nucleon 495
              atomic nucleus 495
                atom 495
                  main group element atom 488
                    p-block element atom 488
                      carbon group element atom 477
                        carbon atom 476
                          organic molecular entity 476
                            heteroorganic entity 472
                              organochalcogen compound 426
                                organooxygen compound 424
                                  carbon oxoacid 365
                                    carboxylic acid 365
                                      carboacyl group 306
                                        univalent carboacyl group 306
                                          carbamoyl group 304
                                            carboxamide 304
                                              dicarboxylic acid amide 4
                                                dicarboxylic acid monoamide 1
                                                  asparagine 1
                                                    L-asparagine 1
                                                      L-asparagine derivative 1
                                                        saquinavir 1
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