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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:bohemine
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Accession:CHEBI:86007 term browser browse the term
Definition:Purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine.
Synonyms:exact_synonym: 3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
 related_synonym: 2-[(3-hydroxypropyl)amino]-6-benzylamino-9-isopropylpurine;   3-{[6-(benzylamino)-9-isopropyl-9H-purin-2-yl]amino}propan-1-ol;   Formula=C18H24N6O;   InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23);   InChIKey=OPQGFIAVPSXOBO-UHFFFAOYSA-N;   SMILES=CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
 xref_mesh: MESH:C118034
 xref: PMID:11181503;   PMID:12487731;   PMID:12667701;   PMID:19003322;   PMID:22250642;   PMID:24675180;   PMID:26024233;   Reaxys:8716256



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bohemine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cdk2 cyclin dependent kinase 2 decreases activity EXP bohemine results in decreased activity of CDK2 protein CTD PMID:15026556 NCBI chr10:128,533,807...128,540,920
Ensembl chr10:128,533,808...128,540,900
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22308
    role 22292
      biological role 22291
        inhibitor 20051
          enzyme inhibitor 19931
            EC 2.* (transferase) inhibitor 15355
              EC 2.7.* (P-containing group transferase) inhibitor 14779
                EC 2.7.11.* (protein-serine/threonine kinase) inhibitor 10277
                  EC 2.7.11.22 (cyclin-dependent kinase) inhibitor 314
                    bohemine 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 22308
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22183
                    p-block element atom 22183
                      carbon group element atom 21985
                        carbon atom 21924
                          organic molecular entity 21924
                            organic molecule 21750
                              organic cyclic compound 21362
                                organic heterocyclic compound 20372
                                  organic heteropolycyclic compound 19668
                                    organic heterobicyclic compound 18232
                                      imidazopyrimidine 7783
                                        purines 7782
                                          bohemine 1
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