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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 1:203,275,912...203,300,848
Ensembl chr 1:203,277,344...203,300,177 		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 4:46,561,269...46,728,759
Ensembl chr 4:46,560,885...46,728,756 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19818
    role 19790
      biological role 19788
        biophysical role 13832
          membrane transport modulator 13668
            CFTR potentiator 120
              lumacaftor 2
                Orkambi 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19818
    subatomic particle 19816
      composite particle 19816
        hadron 19816
          baryon 19816
            nucleon 19816
              atomic nucleus 19816
                atom 19816
                  main group element atom 19761
                    p-block element atom 19761
                      carbon group element atom 19703
                        carbon atom 19698
                          organic molecular entity 19698
                            organic group 18905
                              organic divalent group 18887
                                organodiyl group 18887
                                  carbonyl group 18853
                                    carbonyl compound 18853
                                      carboxylic acid 18569
                                        aromatic carboxylic acid 11830
                                          benzoic acids 11805
                                            lumacaftor 2
                                              Orkambi 0
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