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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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 20089
    role 20042
      biological role 20011
        inhibitor 18844
          enzyme inhibitor 18573
            EC 2.* (transferase) inhibitor 14006
              EC 2.7.* (P-containing group transferase) inhibitor 13644
                protein kinase inhibitor 13179
                  purvalanol B 0
Path 2
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  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic molecule 19856
                              organic cyclic compound 19612
                                organic heterocyclic compound 18824
                                  organic heteropolycyclic compound 18298
                                    organic heterobicyclic compound 17170
                                      imidazopyrimidine 5638
                                        purines 5636
                                          aminopurine 4461
                                            2,6-diaminopurines 39
                                              purvalanol 0
                                                purvalanol B 0
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