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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:680C91
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Accession:CHEBI:131851 term browser browse the term
Definition:A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin.
Synonyms:exact_synonym: 6-fluoro-3-[(E)-2-(pyridin-3-yl)vinyl]-1H-indole
 related_synonym: Formula=C15H11FN2;   InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+;   InChIKey=YBSDQTBCNYWBMX-ONEGZZNKSA-N;   SMILES=C=1(C=CC2=C(C1)NC=C2/C=C/C=3C=NC=CC3)F
 xref: CAS:163239-22-3
 xref_mesh: MESH:C093792
 xref: PMID:7539265;   PMID:7617147;   PMID:8906241;   Reaxys:7640361


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680C91 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions ISO 680C91 inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of CYP1A1 mRNA] CTD PMID:24930766 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G H2ax H2A.X variant histone decreases expression ISO 680C91 results in decreased expression of H2AX protein modified form CTD PMID:26651356 NCBI chr 8:48,665,652...48,666,981
Ensembl chr 8:48,665,652...48,666,981
JBrowse link
G Polk DNA polymerase kappa decreases expression ISO 680C91 results in decreased expression of POLK protein CTD PMID:26651356 NCBI chr 2:27,305,718...27,364,906
Ensembl chr 2:27,305,728...27,364,906
JBrowse link
G Tdo2 tryptophan 2,3-dioxygenase decreases activity ISO 680C91 results in decreased activity of TDO2 protein CTD PMID:21726069 NCBI chr 2:180,897,059...180,914,919
Ensembl chr 2:180,897,011...180,914,940
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      atom 19784
        nonmetal atom 19659
          carbon atom 19563
            organic molecular entity 19563
              olefinic compound 14457
                680C91 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organic heteropolycyclic compound 17824
                                    organic heterobicyclic compound 16744
                                      benzopyrrole 9340
                                        indoles 9194
                                          haloindole 4
                                            fluoroindole 4
                                              680C91 4
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