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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: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 Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bcl2l1 Bcl2-like 1 multiple interactions ISO [AP20187 results in increased activity of INSR protein mutant form] which results in decreased expression of BCL2L1 mRNA CTD PMID:29330302 NCBI chr 3:141,253,508...141,304,582
Ensembl chr 3:141,253,523...141,303,479 		JBrowse link
G Egr3 early growth response 3 multiple interactions ISO [AP20187 results in increased activity of IGF1R protein mutant form] which results in increased expression of EGR3 mRNA CTD PMID:29330302 NCBI chr15:45,150,335...45,156,052
Ensembl chr15:45,150,567...45,154,627 		JBrowse link
G Fgfr1 Fibroblast growth factor receptor 1 increases activity ISO AP20187 results in increased activity of FGFR1 protein mutant form CTD PMID:12654294 NCBI chr16:66,491,930...66,547,161
Ensembl chr16:66,494,042...66,547,350 		JBrowse link
G Hk2 hexokinase 2 multiple interactions ISO [AP20187 results in increased activity of INSR protein mutant form] which results in decreased expression of HK2 mRNA CTD PMID:29330302 NCBI chr 4:115,234,509...115,283,530
Ensembl chr 4:115,234,509...115,283,530 		JBrowse link
G Igf1r insulin-like growth factor 1 receptor multiple interactions ISO [AP20187 results in increased activity of IGF1R protein mutant form] which results in increased expression of EGR3 mRNA CTD PMID:29330302 NCBI chr 1:121,549,831...121,838,548
Ensembl chr 1:121,550,743...121,831,777 		JBrowse link
G Insr insulin receptor multiple interactions ISO [AP20187 results in increased activity of INSR protein mutant form] which results in decreased expression of BCL2L1 mRNA; [AP20187 results in increased activity of INSR protein mutant form] which results in decreased expression of HK2 mRNA; [AP20187 results in increased activity of INSR protein mutant form] which results in decreased expression of JUN mRNA CTD PMID:29330302 NCBI chr12:1,193,193...1,330,976
Ensembl chr12:1,197,100...1,330,883 		JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit multiple interactions ISO [AP20187 results in increased activity of INSR protein mutant form] which results in decreased expression of JUN mRNA CTD PMID:29330302 NCBI chr 5:109,894,175...109,897,268
Ensembl chr 5:109,893,145...109,897,656 		JBrowse link
G Stat5b signal transducer and activator of transcription 5B decreases activity ISO AP20187 results in decreased activity of STAT5B protein CTD PMID:30114225 NCBI chr10:85,704,841...85,775,856
Ensembl chr10:85,705,670...85,775,668 		JBrowse link
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  CHEBI ontology 19811
    role 19818
      chemical role 19422
        ligand 6727
          AP20187 8
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        tertiary amino compound 10124
                                          AP20187 8
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