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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 ISO bohemine results in decreased activity of CDK2 protein CTD PMID:15026556 NCBI chr 7:3,124,953...3,132,533
Ensembl chr 7:3,124,954...3,132,457
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        inhibitor 18281
          enzyme inhibitor 18208
            EC 2.* (transferase) inhibitor 13845
              EC 2.7.* (P-containing group transferase) inhibitor 13511
                EC 2.7.11.* (protein-serine/threonine kinase) inhibitor 8177
                  EC 2.7.11.22 (cyclin-dependent kinase) inhibitor 271
                    bohemine 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic molecule 19568
                              organic cyclic compound 19378
                                organic heterocyclic compound 18495
                                  organic heteropolycyclic compound 17883
                                    organic heterobicyclic compound 16814
                                      imidazopyrimidine 5575
                                        purines 5573
                                          bohemine 1
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