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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:mesulergine
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Accession:CHEBI:73378 term browser browse the term
Definition:A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.
Synonyms:exact_synonym: N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide
 related_synonym: Formula=C18H26N4O2S;   InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1;   InChIKey=JLVHTNZNKOSCNB-YSVLISHTSA-N;   N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide;   SMILES=C1=C2C3=C(C=CC=C3[C@@]4([C@@](C2)(N(C[C@H](C4)NS(N(C)C)(=O)=O)C)[H])[H])N1C;   mesulergina;   mesulerginum
 xref: CAS:64795-35-3;   LINCS:LSM-4045
 xref_mesh: MESH:C031649
 xref: PMID:21190911;   PMID:22313641;   PMID:23597562;   PMID:2895480;   PMID:3428838;   PMID:3708600;   PMID:3881692;   PMID:3895033;   PMID:4067602;   PMID:6230246;   PMID:6386276;   PMID:6488683;   PMID:6527137;   Patent:US4515950;   Reaxys:714438;   Wikipedia:Mesulergine


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mesulergine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G HTR2C 5-hydroxytryptamine receptor 2C affects binding
multiple interactions
EXP mesulergine binds to HTR2C protein
8-fluoro-12-(4-methylpiperazin-1-yl)-6H-(1)benzothieno(2,3-b)(1,5)benzodiazepine inhibits the reaction [mesulergine binds to HTR2C protein]
CTD PMID:11927170 NCBI chr  X:94,053,415...94,313,352
Ensembl chr  X:94,053,456...94,313,356
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  CHEBI ontology 875
    role 855
      biological role 855
        pharmacological role 385
          neurotransmitter agent 147
            serotonergic drug 2
              serotonergic antagonist 2
                mesulergine 1
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  CHEBI ontology 875
    subatomic particle 860
      composite particle 860
        hadron 860
          baryon 860
            nucleon 860
              atomic nucleus 860
                atom 860
                  main group element atom 850
                    main group molecular entity 848
                      s-block molecular entity 732
                        hydrogen molecular entity 718
                          hydrides 345
                            inorganic hydride 243
                              pnictogen hydride 239
                                nitrogen hydride 239
                                  azane 232
                                    ammonia 232
                                      organic amino compound 232
                                        polyamine 13
                                          diamine 13
                                            ergoline 1
                                              mesulergine 1
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