Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:
 
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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 400
    role 402
      biological role 400
        antimicrobial agent 113
          antiviral agent 12
            antiviral drug 9
              saquinavir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 400
    subatomic particle 400
      composite particle 402
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 395
                    p-block element atom 395
                      carbon group element atom 382
                        carbon atom 383
                          organic molecular entity 381
                            organic group 311
                              organic divalent group 310
                                organodiyl group 310
                                  carbonyl group 310
                                    carbonyl compound 310
                                      carboxylic acid 275
                                        carboacyl group 215
                                          univalent carboacyl group 215
                                            carbamoyl group 213
                                              carboxamide 213
                                                dicarboxylic acid amide 4
                                                  dicarboxylic acid monoamide 1
                                                    asparagine 1
                                                      L-asparagine 1
                                                        L-asparagine derivative 1
                                                          saquinavir 1
paths to the root