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ONTOLOGY REPORT - ANNOTATIONS


Term:lopinavir
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Accession:CHEBI:31781 term browser browse the term
Definition:A dicarboxylic acid amide in which a parent structure of amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class. It is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir.
Synonyms:exact_synonym: (2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
 related_synonym: Formula=C37H48N4O5;   InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1;   InChIKey=KJHKTHWMRKYKJE-SUGCFTRWSA-N;   SMILES=CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
 xref: CAS:192725-17-0 "ChemIDplus";   CAS:192725-17-0 "KEGG COMPOUND";   DrugBank:DB01601;   Drug_Central:1601 "DrugCentral";   HMDB:HMDB0015539;   KEGG:C12871;   KEGG:D01425;   LINCS:LSM-6027
 xref_mesh: MESH:D061466
 xref: PDBeChem:AB1;   PMID:24014186 "Europe PMC";   PMID:24518130 "Europe PMC";   PMID:24566184 "Europe PMC";   PMID:24805184 "Europe PMC";   PMID:24906762 "Europe PMC";   PMID:24958908 "Europe PMC";   PMID:25120613 "Europe PMC";   Reaxys:9309881 "Reaxys"


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lopinavir term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb11 ATP binding cassette subfamily B member 11 JBrowse link 3 55,480,024 55,587,946 RGD:6480464
G Abcc2 ATP binding cassette subfamily C member 2 JBrowse link 1 263,554,426 263,612,556 RGD:6480464
G Adipoq adiponectin, C1Q and collagen domain containing JBrowse link 11 81,330,845 81,344,488 RGD:6480464
G Cat catalase JBrowse link 3 93,379,872 93,412,058 RGD:6480464
G Ccl2 C-C motif chemokine ligand 2 JBrowse link 10 69,412,065 69,413,863 RGD:6480464
G Ccl3 C-C motif chemokine ligand 3 JBrowse link 10 70,869,516 70,871,066 RGD:6480464
G Hmox1 heme oxygenase 1 JBrowse link 19 14,508,634 14,515,455 RGD:6480464
G Icam1 intercellular adhesion molecule 1 JBrowse link 8 22,035,287 22,047,049 RGD:6480464
G Il1b interleukin 1 beta JBrowse link 3 121,876,256 121,882,637 RGD:6480464
G Il6 interleukin 6 JBrowse link 4 3,043,231 3,047,807 RGD:6480464
G Lep leptin JBrowse link 4 56,337,695 56,351,818 RGD:6480464
G Lmna lamin A/C JBrowse link 2 187,842,884 187,863,552 RGD:6480464
G Rb1 RB transcriptional corepressor 1 JBrowse link 15 55,081,582 55,209,060 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464
G Zmpste24 zinc metallopeptidase STE24 JBrowse link 5 139,982,404 140,015,541 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19728
    role 19675
      biological role 19673
        antimicrobial agent 17211
          antiviral agent 3709
            antiviral drug 1776
              lopinavir 15
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic acid 17960
                                        carboacyl group 17072
                                          univalent carboacyl group 17072
                                            carbamoyl group 16801
                                              carboxamide 16801
                                                dicarboxylic acid amide 3087
                                                  dicarboxylic acid diamide 2638
                                                    lopinavir 15
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.