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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:lumacaftor
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Accession:CHEBI:90951 term browser browse the term
Definition:An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis.
Synonyms:exact_synonym: 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
 related_synonym: Formula=C24H18F2N2O5;   InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31);   InChIKey=UFSKUSARDNFIRC-UHFFFAOYSA-N;   SMILES=C1(C(NC2=CC=C(C(=N2)C3=CC(=CC=C3)C(O)=O)C)=O)(C4=CC5=C(C=C4)OC(O5)(F)F)CC1;   VRT-826809;   VX-809
 xref: CAS:936727-05-8;   Drug_Central:5010;   KEGG:D10134
 xref_mesh: MESH:C569105
 xref: PMID:24771136;   PMID:24973281;   PMID:25981758;   PMID:26071414;   PMID:26416827;   PMID:26417173;   PMID:26492939;   PMID:26506855;   PMID:26510034;   PMID:26510035;   PMID:26567541;   PMID:26581802;   PMID:26718821;   Reaxys:12892616;   Wikipedia:Lumacaftor


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lumacaftor term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Capn1 calpain 1 multiple interactions ISO CAPN1 protein affects the reaction [lumacaftor binds to CFTR protein mutant form] CTD PMID:31324722 NCBI chr 1:221,346,081...221,370,965
Ensembl chr 1:221,346,066...221,370,322
JBrowse link
G Cftr CF transmembrane conductance regulator multiple interactions
affects folding
ISO [Colforsin co-treated with lumacaftor] results in increased activity of CFTR protein mutant form; [ivacaftor co-treated with Colforsin co-treated with lumacaftor] results in increased activity of CFTR protein mutant form; calpain inhibitor 2 promotes the reaction [lumacaftor binds to and affects the folding of CFTR protein mutant form]; CAPN1 protein affects the reaction [lumacaftor binds to CFTR protein mutant form]; lumacaftor binds to and affects the folding of CFTR protein mutant form
lumacaftor affects the folding of CFTR protein mutant form
CTD PMID:31324722 PMID:32374624 NCBI chr 4:42,693,263...42,860,679
Ensembl chr 4:42,692,836...42,860,676
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        biophysical role 12688
          membrane transport modulator 12487
            CFTR potentiator 117
              lumacaftor 2
                Orkambi 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        aromatic carboxylic acid 11266
                                          benzoic acids 11237
                                            lumacaftor 2
                                              Orkambi 0
paths to the root