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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:rigosertib
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Accession:CHEBI:145417 term browser browse the term
Definition:An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties.
Synonyms:exact_synonym: N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
 related_synonym: (E)-ON 01910;   Formula=C21H25NO8S;   InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+;   InChIKey=OWBFCJROIKNMGD-BQYQJAHWSA-N;   ON-01910;   SMILES=C1(=CC(=C(C(=C1)OC)/C=C/S(CC2=CC=C(C(=C2)NCC(O)=O)OC)(=O)=O)OC)OC;   [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid;   rigosertibum
 xref: CAS:592542-59-1;   DrugBank:DB12146;   KEGG:D10154;   LINCS:LSM-44531;   PDBeChem:6FS;   PMID:15766665;   PMID:16223707;   PMID:27150054;   PMID:27764820;   PMID:28985505;   PMID:29070108;   PMID:29144985;   PMID:30956775;   PMID:31299161;   PMID:31312928;   Wikipedia:Rigosertib
 cyclic_relationship: is_conjugate_acid_of CHEBI:145422


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Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      biological role 19711
        biochemical role 19301
          apoptosis inducer 11019
            rigosertib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      carboxylic acid 18151
                                        amino acid 14107
                                          alpha-amino acid 11593
                                            L-alpha-amino acid 11428
                                              serine family amino acid 2061
                                                glycine 1215
                                                  glycine derivative 1201
                                                    N-[2-methoxy-5-(\{[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl\}methyl)phenyl]glycine 0
                                                      rigosertib 0
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