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ONTOLOGY REPORT - ANNOTATIONS


Term:AP20187
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Accession:CHEBI:136847 term browser browse the term
Definition:A tertiary amino compound that is 2-(aminomethyl)-N,N-dimethylpropane-1,3-diamine in which the primary ammino groups have each been acylated by condensation with the carboxy group of 2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid, the hydroxy groups of which have been esterified by condensation with the carboxy group of L-pipecolic acid, the nitrogen of which has been acylated by condensation with (2S)-2-(3,4,5-trimethoxyphenyl)butyric acid. It is a synthetic, cell-permeable ligand that can be used to induce homodimerization of fusion proteins containing the DmrB domain.
Synonyms:exact_synonym: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-({3-[2-(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetamido]-2-[(dimethylamino)methyl]propyl}amino)-2-oxoethoxy]phenyl}propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
 related_synonym: AP 20187;   B/B Homodimerizer;   Formula=C82H107N5O20;   InChI=1S/C82H107N5O20/c1-15-61(57-43-71(98-9)77(102-13)72(44-57)99-10)79(90)86-37-19-17-27-63(86)81(92)106-65(33-29-52-31-35-67(94-5)69(39-52)96-7)55-23-21-25-59(41-55)104-50-75(88)83-47-54(49-85(3)4)48-84-76(89)51-105-60-26-22-24-56(42-60)66(34-30-53-32-36-68(95-6)70(40-53)97-8)107-82(93)64-28-18-20-38-87(64)80(91)62(16-2)58-45-73(100-11)78(103-14)74(46-58)101-12/h21-26,31-32,35-36,39-46,54,61-66H,15-20,27-30,33-34,37-38,47-51H2,1-14H3,(H,83,88)(H,84,89)/t61-,62-,63-,64-,65+,66+/m0/s1;   InChIKey=NSBGUMKAXUXKGI-BPNHAYRBSA-N;   SMILES=C(C(CNC(COC=1C=C(C=CC1)[C@@H](CCC2=CC(=C(C=C2)OC)OC)OC([C@H]3N(C([C@@H](CC)C4=CC(=C(C(=C4)OC)OC)OC)=O)CCCC3)=O)=O)CN(C)C)NC(COC=5C=C(C=CC5)[C@@H](CCC6=CC(=C(C=C6)OC)OC)OC([C@H]7N(C([C@@H](CC)C8=CC(=C(C(=C8)OC)OC)OC)=O)CCCC7)=O)=O
 xref: CAS:195514-80-8
 xref_mesh: MESH:C463061
 xref: PMID:17328681;   PMID:17962474;   PMID:24421317;   PMID:25928330;   PMID:27604214;   PMID:28173622;   PMID:28191782;   Patent:US6150527;   Patent:WO2012103279;   Reaxys:22811386;   Wikipedia:AP20187


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AP20187 term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Bcl2l1 Bcl2-like 1 JBrowse link 3 148,259,594 148,314,191 RGD:6480464
G Egr3 early growth response 3 JBrowse link 15 51,756,683 51,762,080 RGD:6480464
G Fgfr1 Fibroblast growth factor receptor 1 JBrowse link 16 71,265,390 71,319,046 RGD:6480464
G Hk2 hexokinase 2 JBrowse link 4 113,559,396 113,609,897 RGD:6480464
G Igf1r insulin-like growth factor 1 receptor JBrowse link 1 128,924,921 129,213,816 RGD:6480464
G Insr insulin receptor JBrowse link 12 1,682,527 1,816,414 RGD:6480464
G Jun Jun proto-oncogene, AP-1 transcription factor subunit JBrowse link 5 114,011,184 114,014,277 RGD:6480464
G Stat5b signal transducer and activator of transcription 5B JBrowse link 10 88,686,207 88,712,313 RGD:6480464

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  CHEBI ontology 19779
    role 19727
      chemical role 19258
        ligand 5764
          AP20187 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    main group molecular entity 19664
                      s-block molecular entity 19406
                        hydrogen molecular entity 19397
                          hydrides 18386
                            inorganic hydride 17221
                              pnictogen hydride 17184
                                nitrogen hydride 17020
                                  azane 16716
                                    ammonia 16715
                                      organic amino compound 16714
                                        tertiary amino compound 8630
                                          AP20187 8
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