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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:sotrastaurin
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Accession:CHEBI:90531 term browser browse the term
Definition:A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.
Synonyms:exact_synonym: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione
 related_synonym: AEB-071;   AEB071;   Formula=C25H22N6O2;   InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);   InChIKey=OAVGBZOFDPFGPJ-UHFFFAOYSA-N;   SMILES=C1(=C(C2=CNC3=C2C=CC=C3)C(=O)NC1=O)C4=NC(N5CCN(CC5)C)=NC6=C4C=CC=C6;   sotrastaurina;   sotrastaurine;   sotrastaurinum
 xref: CAS:425637-18-9;   KEGG:D09671;   LINCS:LSM-42761
 xref_mesh: MESH:C543528
 xref: PDBeChem:LW4;   PMID:19491325;   PMID:19827831;   PMID:20003043;   PMID:20683390;   PMID:21142580;   PMID:21157403;   PMID:21324920;   PMID:21564523;   PMID:21883905;   PMID:25634538;   PMID:25677074;   Reaxys:13012870

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sotrastaurin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Prkcb protein kinase C, beta decreases activity
multiple interactions		 ISO sotrastaurin results in decreased activity of PRKCB protein
sotrastaurin inhibits the reaction [docetaxel results in increased phosphorylation of PRKCB protein]		 CTD PMID:25634538 NCBI chr 1:192,233,569...192,575,339
Ensembl chr 1:192,233,910...192,574,831 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    role 19723
      biological role 19723
        immunomodulator 14886
          immunosuppressive agent 13704
            sotrastaurin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic group 18603
                              organic divalent group 18594
                                organodiyl group 18594
                                  carbonyl group 18507
                                    carbonyl compound 18507
                                      dicarboxylic acids and O-substituted derivatives 10288
                                        dicarboxylic acid 10279
                                          C4-dicarboxylic acid 813
                                            butenedioic acid 527
                                              maleic acid 503
                                                maleimides 150
                                                  sotrastaurin 1
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