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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Definition:A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration).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 TDO inhibitor LM10 inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of CYP1A1 mRNA] CTD PMID:24930766 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		JBrowse link
G H2ax H2A.X variant histone decreases expression ISO TDO inhibitor LM10 results in decreased expression of H2AX protein modified form CTD PMID:26651356 NCBI chr 8:44,671,907...44,673,262
Ensembl chr 8:44,671,786...44,673,239
Ensembl chr 4:44,671,786...44,673,239 		JBrowse link
G Polk DNA polymerase kappa decreases expression ISO TDO inhibitor LM10 results in decreased expression of POLK protein CTD PMID:26651356 NCBI chr 2:27,822,228...27,882,331
Ensembl chr 2:27,822,679...27,882,313 		JBrowse link
G Tdo2 tryptophan 2,3-dioxygenase decreases activity ISO TDO inhibitor LM10 results in decreased activity of TDO2 protein CTD PMID:21726069 NCBI chr 2:167,269,581...167,287,511
Ensembl chr 2:167,269,579...167,287,511 		JBrowse link
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Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      atom 19897
        nonmetal atom 19819
          carbon atom 19772
            organic molecular entity 19772
              olefinic compound 16995
                680C91 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19724
                              organic cyclic compound 19514
                                organic heterocyclic compound 18893
                                  organic heteropolycyclic compound 18320
                                    organic heterobicyclic compound 17272
                                      benzopyrrole 9747
                                        indoles 9434
                                          haloindole 4
                                            fluoroindole 4
                                              680C91 4
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