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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:purvalanol B
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Accession:CHEBI:49840 term browser browse the term
Definition:A purvalanol that has formula 432.90384.
Synonyms:exact_synonym: 2-chloro-4-{[2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}benzoic acid
 related_synonym: 2-chloro-4-{[2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl]amino}benzoic acid;   Formula=C20H25ClN6O3;   InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1;   InChIKey=ZKDXRFMOHZVXSG-HNNXBMFYSA-N;   PURVALANOL;   SMILES=CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1
 alt_id: CHEBI:38936;   CHEBI:49839
 xref: Beilstein:8653450;   DrugBank:DB02733;   LINCS:LSM-2923;   PDBeChem:PVB


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  CHEBI ontology 0
    role 0
      biological role 0
        inhibitor 0
          enzyme inhibitor 0
            EC 2.* (transferase) inhibitor 0
              EC 2.7.* (P-containing group transferase) inhibitor 0
                protein kinase inhibitor 0
                  purvalanol B 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      imidazopyrimidine 0
                                        purines 0
                                          aminopurine 0
                                            2,6-diaminopurines 0
                                              purvalanol 0
                                                purvalanol B 0
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