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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
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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
Ensembl chr 8:36,420,569...36,441,009
JBrowse link

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  CHEBI ontology 19730
    role 19703
      application 19534
        pharmaceutical 19410
          drug 19410
            antineoplastic agent 17616
              PF-00477736 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19730
    subatomic particle 19728
      composite particle 19728
        hadron 19728
          baryon 19728
            nucleon 19728
              atomic nucleus 19728
                atom 19728
                  main group element atom 19676
                    p-block element atom 19676
                      carbon group element atom 19620
                        carbon atom 19616
                          organic molecular entity 19616
                            organic group 18827
                              organic divalent group 18812
                                organodiyl group 18812
                                  carbonyl group 18778
                                    carbonyl compound 18778
                                      carboxylic acid 18499
                                        carboacyl group 17643
                                          univalent carboacyl group 17643
                                            carbamoyl group 17484
                                              carboxamide 17484
                                                amino acid amide 1441
                                                  PF-00477736 2
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