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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 5178
    role 5145
      biological role 5145
        inhibitor 720
          enzyme inhibitor 525
            EC 2.* (transferase) inhibitor 152
              EC 2.7.* (P-containing group transferase) inhibitor 112
                protein kinase inhibitor 100
                  purvalanol B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5178
    subatomic particle 5169
      composite particle 5169
        hadron 5169
          baryon 5169
            nucleon 5169
              atomic nucleus 5169
                atom 5169
                  main group element atom 5141
                    p-block element atom 5138
                      carbon group element atom 5057
                        carbon atom 5056
                          organic molecular entity 5056
                            organic molecule 5004
                              organic cyclic compound 4944
                                organic heterocyclic compound 4732
                                  organic heteropolycyclic compound 4523
                                    organic heterobicyclic compound 148
                                      imidazopyrimidine 42
                                        purines 42
                                          aminopurine 34
                                            2,6-diaminopurines 0
                                              purvalanol 0
                                                purvalanol B 0
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