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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 chr20:20,576,341...20,591,510
Ensembl chr20:20,576,377...20,591,549
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 8:39,181,162...39,201,588
Ensembl chr 8:39,181,163...39,243,882
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pharmaceutical 19275
          drug 19275
            antineoplastic agent 16985
              PF-00477736 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            carbamoyl group 17134
                                              carboxamide 17134
                                                amino acid amide 887
                                                  PF-00477736 2
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