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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:alsterpaullone
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Accession:CHEBI:138488 term browser browse the term
Definition:An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.
Synonyms:related_synonym: 14-nitro-8,18-diazatetracyclo[9.7.0.0({2,7}).0({12,17})]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one;   9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE;   9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one;   9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one;   9-nitropaullone;   Formula=C16H11N3O3;   InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20);   InChIKey=OLUKILHGKRVDCT-UHFFFAOYSA-N;   SMILES=C12=CC=C(C=C2C=3CC(NC4=CC=CC=C4C3N1)=O)[N+](=O)[O-]
 alt_id: CHEBI:40939
 xref: CAS:237430-03-4;   Chemspider:4185120;   DrugBank:DB04014;   LINCS:LSM-6558
 xref_mesh: MESH:C120793
 xref: PDB:1Q3W;   PDBeChem:ATU;   PMID:10425100;   PMID:12669310;   PMID:20334651;   PMID:22052821;   PMID:23577282;   PMID:26061748;   PMID:26442525;   Pubchem:24890918;   Reaxys:8340480



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alsterpaullone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor increases activity ISO alsterpaullone analog results in increased activity of AR protein CTD PMID:21111724 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
JBrowse link
G Casp3 caspase 3 multiple interactions EXP alsterpaullone inhibits the reaction [Colchicine results in increased activity of CASP3 protein] CTD PMID:20300959 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Cdk2 cyclin dependent kinase 2 decreases activity ISO alsterpaullone results in decreased activity of CDK2 protein CTD PMID:12534346 NCBI chr 7:1,129,878...1,137,431
Ensembl chr 7:1,129,811...1,137,403
JBrowse link
G Gsk3b glycogen synthase kinase 3 beta decreases activity ISO alsterpaullone results in decreased activity of GSK3B protein CTD PMID:12534346 NCBI chr11:62,498,997...62,648,665
Ensembl chr11:62,504,316...62,648,646
JBrowse link
G Klk1c10 kallikrein 1-related peptidase C10 increases expression ISO alsterpaullone results in increased expression of KLK3 mRNA CTD PMID:21111724 NCBI chr 1:94,402,993...94,407,052
Ensembl chr 1:94,402,993...94,407,052
JBrowse link
G Lck LCK proto-oncogene, Src family tyrosine kinase decreases activity ISO alsterpaullone results in decreased activity of LCK protein CTD PMID:12534346 NCBI chr 5:141,888,318...141,916,945
Ensembl chr 5:141,888,326...141,903,794
JBrowse link
G Tp53 tumor protein p53 affects localization
multiple interactions
ISO alsterpaullone affects the localization of TP53 protein
alsterpaullone results in decreased degradation of and results in increased expression of TP53 protein
CTD PMID:16055726 NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      biological role 19818
        biochemical role 19525
          apoptosis inducer 13651
            alsterpaullone 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17554
                                            carboxamide 17554
                                              lactam 8390
                                                paullone 47
                                                  alsterpaullone 7
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