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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:PF-00477736
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Accession:CHEBI:91385 term browser browse the term
Definition:A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).
Synonyms:exact_synonym: (2R)-2-amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-4H-[1,2]diazepino[4,5,6-cd]indol-8-yl]acetamide
 related_synonym: Formula=C22H25N7O2;   InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1;   InChIKey=YFNWWNRZJGMDBR-LJQANCHMSA-N;   PF-477736;   SMILES=CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)[C@@H](C5CCCCC5)N
 xref: CAS:952021-60-2;   LINCS:LSM-1112
 xref_mesh: MESH:C532366
 xref: PMID:18694366;   PMID:19584159;   PMID:23820871;   PMID:24838526;   PMID:25104095;   PMID:25428911;   PMID:25465126;   PMID:26439697;   PMID:26542114


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PF-00477736 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cdk1 cyclin-dependent kinase 1 multiple interactions ISO PF 00477736 inhibits the reaction [Mustard Gas results in increased phosphorylation of CDK1 protein] CTD PMID:25448276 NCBI chr20:19,266,226...19,281,417
Ensembl chr20:19,266,248...19,281,408
JBrowse link
G Chek1 checkpoint kinase 1 decreases activity
multiple interactions
ISO PF 00477736 results in decreased activity of CHEK1 protein
PF 00477736 inhibits the reaction [Mustard Gas results in increased phosphorylation of CHEK1 protein]
CTD PMID:21707865 PMID:25448276 NCBI chr 8:36,420,565...36,443,477 JBrowse link

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  CHEBI ontology 19812
    role 19761
      application 19471
        pharmaceutical 19319
          drug 19319
            antineoplastic agent 17316
              PF-00477736 2
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  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                amino acid amide 902
                                                  PF-00477736 2
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