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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:LCL161
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Accession:CHEBI:193137 term browser browse the term
Definition:LCL161 is a small molecule inhibitor of IAPs that has potent antitumour activity in a range of solid tumours. In HCC, response to LCL161 therapy has shown to be mediated by Bcl-2 expression.
Synonyms:exact_synonym: N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N(2)-methyl-L-alaninamide
 related_synonym: (2S)-N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-2-(methylamino)propanamide;   (s)-n-((s)-1-cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide;   Formula=C26H33FN4O3S;   InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1;   InChIKey=UFPFGVNKHCLJJO-SSKFGXFMSA-N;   Lcl-161;   NVP-LCL161;   SMILES=[H][C@]1(CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1=NC(=CS1)C(=O)C1=CC=C(F)C=C1
 xref: CAS:1005342-46-0
 xref_mesh: MESH:C574246
 xref: PMID:22580047;   PMID:24976294;   PMID:26846923;   PMID:27043662;   PMID:27640787;   PMID:27737687;   PMID:29455885;   PMID:30235087;   PMID:30530779;   PMID:31015310;   PMID:31138375;   PMID:31521127;   PMID:31908904;   PMID:32497533;   PMID:34398333;   PMID:34424319;   PMID:34496878;   PMID:35007560;   PMID:35098674;   PMID:36286042;   PMID:36531039;   PMID:36686801;   PMID:37129455;   PMID:37138866;   PMID:37513508;   PMID:37524969


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LCL161 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A multiple interactions ISO LCL161 binds to and affects the activity of ABCB1 protein; LCL161 inhibits the reaction [ABCB1 protein results in increased export of Fluorescent Dyes]; LCL161 inhibits the reaction [ABCB1 protein results in increased export of mitotracker green FM] CTD PMID:32497533 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Birc2 baculoviral IAP repeat-containing 2 decreases expression
decreases expression 		ISO LCL161 results in decreased expression of BIRC2 protein
LCL161 decreases expression of BIRC2 protein in hepatocellular carcinoma cells		 CTD
RGD		 PMID:32497533 PMID:24976294 RGD:153305953 NCBI chr 8:4,968,856...4,989,325
Ensembl chr 8:4,968,842...4,988,732 		JBrowse link
G Birc3 baculoviral IAP repeat-containing 3 decreases expression ISO LCL161 decreases expression of BIRC3 protein in hepatocellular carcinoma cells RGD PMID:24976294 RGD:153305953 NCBI chr 8:5,000,844...5,028,470
Ensembl chr 8:5,000,845...5,015,802 		JBrowse link
G Birc5 baculoviral IAP repeat-containing 5 decreases expression ISO LCL161 results in decreased expression of BIRC5 protein CTD PMID:32497533 NCBI chr10:103,072,530...103,081,382
Ensembl chr10:103,073,408...103,081,380 		JBrowse link
G Xiap X-linked inhibitor of apoptosis decreases expression ISO LCL161 decreases expression of XIAP protein in hepatocellular carcinoma cells RGD PMID:24976294 RGD:153305953 NCBI chr  X:120,890,537...120,938,413
Ensembl chr  X:120,897,907...120,934,700 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      biological role 19842
        biochemical role 19549
          apoptosis inducer 13659
            LCL161 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
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbon oxoacid 18654
                                    carboxylic acid 18651
                                      monocarboxylic acid 18000
                                        fatty acid 16833
                                          saturated fatty acid 16556
                                            propionic acid 3873
                                              alanine 115
                                                L-alanine 106
                                                  L-alanine derivative 104
                                                    LCL161 5
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