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ONTOLOGY REPORT - ANNOTATIONS


Term:nelfinavir
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Accession:CHEBI:7496 term browser browse the term
Definition:An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.
Synonyms:exact_synonym: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
 related_synonym: Formula=C32H45N3O4S;   InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1;   InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N;   SMILES=Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
 xref: CAS:159989-64-7 "ChemIDplus";   CAS:159989-64-7 "KEGG COMPOUND";   DrugBank:DB00220;   Drug_Central:1893 "DrugCentral";   HMDB:HMDB0014365;   KEGG:C07257;   KEGG:D08259;   LINCS:LSM-5819
 xref_mesh: MESH:D019888
 xref: PDBeChem:1UN;   PMID:23109184 "Europe PMC";   PMID:23386514 "Europe PMC";   PMID:23454896 "Europe PMC";   PMID:23647753 "Europe PMC";   PMID:23872785 "Europe PMC";   PMID:23916134 "Europe PMC";   PMID:24194293 "Europe PMC";   PMID:24418752 "Europe PMC";   PMID:24483157 "Europe PMC";   PMID:24498124 "Europe PMC";   PMID:24574416 "Europe PMC";   PMID:24596143 "Europe PMC";   PMID:24719428 "Europe PMC";   Reaxys:7419619 "Reaxys";   Wikipedia:Nelfinavir
 cyclic_relationship: is_conjugate_base_of CHEBI:78767


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nelfinavir 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 Abcb1a ATP binding cassette subfamily B member 1A JBrowse link 4 22,339,829 22,517,642 RGD:6480464
G Abcc1 ATP binding cassette subfamily C member 1 JBrowse link 10 549,537 672,235 RGD:6480464
G Abcc2 ATP binding cassette subfamily C member 2 JBrowse link 1 263,554,426 263,612,556 RGD:6480464
G Abcg2 ATP binding cassette subfamily G member 2 JBrowse link 4 88,765,441 88,890,268 RGD:6480464
G Adipoq adiponectin, C1Q and collagen domain containing JBrowse link 11 81,330,845 81,344,488 RGD:6480464
G Aifm1 apoptosis inducing factor, mitochondria associated 1 JBrowse link X 135,304,063 135,343,062 RGD:6480464
G Alb albumin JBrowse link 14 19,176,275 19,191,793 RGD:6480464
G Atf3 activating transcription factor 3 JBrowse link 13 109,817,892 109,849,632 RGD:6480464
G Atf4 activating transcription factor 4 JBrowse link 7 121,480,723 121,482,781 RGD:6480464
G Atf6 activating transcription factor 6 JBrowse link 13 89,053,457 89,242,531 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Casp7 caspase 7 JBrowse link 1 277,190,557 277,242,779 RGD:6480464
G Casp8 caspase 8 JBrowse link 9 65,614,142 65,662,624 RGD:6480464
G Casp9 caspase 9 JBrowse link 5 160,356,211 160,373,774 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 Ccnd3 cyclin D3 JBrowse link 9 15,404,816 15,410,905 RGD:6480464
G Cdc25a cell division cycle 25A JBrowse link 8 117,953,223 117,971,552 RGD:6480464
G Cdk2 cyclin dependent kinase 2 JBrowse link 7 3,124,953 3,132,533 RGD:6480464
G Cycs cytochrome c, somatic JBrowse link 4 80,331,226 80,333,326 RGD:6480464
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G Cyp3a23/3a1 cytochrome P450, family 3, subfamily a, polypeptide 23/polypeptide 1 JBrowse link 12 11,053,888 11,082,742 RGD:6480464
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 JBrowse link 12 19,074,288 19,114,491 RGD:6480464
G Ddit3 DNA-damage inducible transcript 3 JBrowse link 7 70,578,564 70,585,074 RGD:6480464
G Eif2a eukaryotic translation initiation factor 2A JBrowse link 2 148,722,343 148,755,781 RGD:6480464
G Fasn fatty acid synthase JBrowse link 10 109,987,735 110,005,901 RGD:6480464
G Hmox1 heme oxygenase 1 JBrowse link 19 14,508,634 14,515,455 RGD:6480464
G Hspa5 heat shock protein family A (Hsp70) member 5 JBrowse link 3 13,838,304 13,842,763 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 Inhbe inhibin subunit beta E JBrowse link 7 70,641,423 70,642,848 RGD:6480464
G Lep leptin JBrowse link 4 56,337,695 56,351,818 RGD:6480464
G Lpl lipoprotein lipase JBrowse link 16 22,537,687 22,561,487 RGD:6480464
G Map1lc3b microtubule-associated protein 1 light chain 3 beta JBrowse link 19 53,635,449 53,643,970 RGD:6480464
G Mbtps2 membrane-bound transcription factor peptidase, site 2 JBrowse link X 40,258,933 40,309,047 RGD:6480464
G Mcl1 MCL1 apoptosis regulator, BCL2 family member JBrowse link 2 197,786,212 197,788,992 RGD:6480464
G Me1 malic enzyme 1 JBrowse link 8 94,256,830 94,368,834 RGD:6480464
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 JBrowse link 11 65,022,100 65,058,546 RGD:6480464
G Pcna proliferating cell nuclear antigen JBrowse link 3 124,880,698 124,884,570 RGD:6480464
G Plin1 perilipin 1 JBrowse link 1 141,458,907 141,470,927 RGD:6480464
G Rb1 RB transcriptional corepressor 1 JBrowse link 15 55,081,582 55,209,060 RGD:6480464
G Srebf1 sterol regulatory element binding transcription factor 1 JBrowse link 10 46,570,996 46,593,021 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464
G Ugt2b17 UDP glucuronosyltransferase family 2 member B17 JBrowse link 14 22,724,399 22,736,148 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19662
    role 19606
      application 19232
        pharmaceutical 19094
          drug 19094
            antineoplastic agent 16568
              nelfinavir 45
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        carboacyl group 16944
                                          univalent carboacyl group 16944
                                            carbamoyl group 16623
                                              carboxamide 16623
                                                monocarboxylic acid amide 13187
                                                  arenecarboxamide 6405
                                                    benzamides 6405
                                                      nelfinavir 45
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.