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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:E-4031
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Accession:CHEBI:34732 term browser browse the term
Definition:A sulfonamide that has formula C21H27N3O3S.
Synonyms:related_synonym: Formula=C21H27N3O3S;   InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3;   InChIKey=SRUISGSHWFJION-UHFFFAOYSA-N;   SMILES=Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
 xref: CAS:113558-89-7;   KEGG:C13776;   LINCS:LSM-2928
 xref_mesh: MESH:C063968


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E-4031 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Crh corticotropin releasing hormone multiple interactions EXP E 4031 inhibits the reaction [Corticosterone inhibits the reaction [CRH protein results in increased secretion of Adrenocorticotropic Hormone]] CTD PMID:18835572 NCBI chr 2:102,143,055...102,144,919
Ensembl chr 2:102,143,055...102,144,919 		JBrowse link
G Cyp19a1 cytochrome P450, family 19, subfamily a, polypeptide 1 decreases response to substance ISO CYP19A1 gene mutant form results in decreased susceptibility to E 4031 CTD PMID:25972195 NCBI chr 8:54,552,978...54,580,375
Ensembl chr 8:54,553,165...54,580,758 		JBrowse link
G Kcne2 potassium voltage-gated channel subfamily E regulatory subunit 2 multiple interactions ISO [KCNE2 protein binds to KCNH2 protein] which results in increased susceptibility to E 4031; E 4031 results in decreased activity of [KCNE2 protein binds to KCNH2 protein] CTD PMID:10219239 NCBI chr11:31,517,176...31,530,026
Ensembl chr11:31,295,614...31,530,043 		JBrowse link
G Kcnh1 potassium voltage-gated channel subfamily H member 1 affects binding
multiple interactions		 ISO E 4031 binds to KCNH1 protein
E 4031 binds to and results in decreased activity of KCNH1 protein		 CTD PMID:18471075 PMID:18497958 NCBI chr13:103,722,140...104,024,762
Ensembl chr13:103,722,245...104,024,740 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 affects localization
affects binding
multiple interactions
decreases activity
increases activity		 ISO
EXP		 E 4031 affects the localization of KCNH2 protein mutant form
E 4031 binds to KCNH2 protein
[KCNE2 protein binds to KCNH2 protein] which results in increased susceptibility to E 4031; beta-Cyclodextrins analog inhibits the reaction [E 4031 results in decreased activity of KCNH2 protein]; E 4031 binds to and results in decreased activity of KCNH2 protein; E 4031 inhibits the reaction [fexofenadine results in increased activity of KCNH2 protein mutant form]; E 4031 inhibits the reaction [Flufenamic Acid promotes the reaction [KCNH2 protein results in increased transport of Potassium]]; E 4031 inhibits the reaction [KCNH2 protein results in increased transport of Thallium]; E 4031 inhibits the reaction [Niflumic Acid promotes the reaction [KCNH2 protein results in increased transport of Potassium]]; E 4031 results in decreased activity of [KCNE2 protein binds to KCNH2 protein]; E 4031 results in increased glycosylation of and affects the localization of KCNH2 protein mutant form
E 4031 results in increased activity of KCNH2 protein mutant form
E 4031 inhibits the reaction [Progesterone results in decreased localization of KCNH2 protein]		 CTD PMID:10219239 PMID:10531299 PMID:11741928 PMID:12070109 PMID:12359267 More... NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    chemical entity 19872
      atom 19872
        nonmetal atom 19794
          sulfur atom 17750
            sulfur molecular entity 17750
              organosulfur compound 17449
                sulfonamide 5307
                  E-4031 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      chalcogen 19563
                        oxygen atom 19535
                          oxygen molecular entity 19535
                            hydroxides 19341
                              oxoacid 18777
                                chalcogen oxoacid 13781
                                  sulfur oxoacid 13570
                                    sulfonic acid 11616
                                      sulfonic acid derivative 11616
                                        sulfonamide 5307
                                          E-4031 5
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