Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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:ledipasvir
go back to main search page
Accession:CHEBI:85089 term browser browse the term
Definition:A benzimidazole derivative that is used in combination with sofosbuvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.
Synonyms:exact_synonym: methyl [(2S)-1-{(6S)-6-[4-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-5-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl}-3-methyl-1-oxobutan-2-yl]carbamate
 related_synonym: Formula=C49H54F2N8O6;   GS-5885;   GS5885;   InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1;   InChIKey=VRTWBAAJJOHBQU-KMWAZVGDSA-N;   SMILES=COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c1nc(c[nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1ccc2[nH]c(nc2c1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C;   WHO 9796
 xref: CAS:1256388-51-8;   Drug_Central:4899;   KEGG:D10442
 xref_mesh: MESH:C586541
 xref: PMID:25553890;   PMID:25591505;   PMID:25619871;   PMID:25627448;   PMID:25674516;   PMID:25674658;   PMID:25676581;   PMID:25706232;   PMID:25706754;   Reaxys:23926149;   Wikipedia:Ledipasvir



show annotations for term's descendants           Sort by:
 
ledipasvir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcg2 ATP binding cassette subfamily G member 2 affects binding ISO ledipasvir binds to ABCG2 protein CTD PMID:33954893 NCBI chr 4:87,676,241...87,802,757
Ensembl chr 4:87,745,319...87,802,409
JBrowse link
G Klrc1 killer cell lectin like receptor C1 decreases expression ISO ledipasvir co-treated with sofosbuvir decreases expression of NCR1 protein in natural killer cells RGD PMID:31218578 RGD:40400920 NCBI chr 4:163,142,142...163,152,425
Ensembl chr 4:163,147,189...163,152,425
JBrowse link
G Ncr1 natural cytotoxicity triggering receptor 1 affects expression ISO ledipasvir co-treated sofosbuvir with affects expression of NCR1 protein in natural killer cells RGD PMID:31218578 RGD:40400920 NCBI chr 1:69,614,744...69,622,570 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        xenobiotic 18699
          fluorenes 428
            ledipasvir 3
              Harvoni 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        amino acid 14920
                                          alpha-amino acid 12956
                                            L-alpha-amino acid 11612
                                              pyruvate family amino acid 275
                                                L-valine 113
                                                  L-valine derivative 113
                                                    ledipasvir 3
                                                      Harvoni 0
paths to the root