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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:melagatran
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Accession:CHEBI:43966 term browser browse the term
Definition:A member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)benzenecarboximidamide and in which the hydrogen attached to the azetidine nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(carboxymethyl)amino]acetyl group.
Synonyms:related_synonym: Formula=C22H31N5O4;   InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1;   InChIKey=DKWNMCUOEDMMIN-PKOBYXMFSA-N;   N-((R)-(((2S)-2-((-p-amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine;   N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine;   SMILES=[H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=N;   melagatranum
 alt_id: CHEBI:73114
 xref: CAS:159776-70-2;   KEGG:D07143
 xref_mesh: MESH:C109573
 xref: PDBeChem:MEL;   PMID:10102460;   PMID:11060733;   PMID:12846595;   PMID:13680847;   PMID:15487959;   PMID:16106594;   PMID:16123912;   PMID:16767816;   PMID:22546231;   PMID:28338626;   PMID:9459334;   Reaxys:8090770



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melagatran term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G F2 coagulation factor II multiple interactions ISO melagatran binds to and results in decreased activity of F2 protein CTD PMID:16084352 NCBI chr 3:77,596,196...77,609,486
Ensembl chr 3:77,596,198...77,609,486
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ximelagatran term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G F2 coagulation factor II decreases cleavage
multiple interactions
ISO ximelagatran results in decreased cleavage of F2 protein
ximelagatran binds to and results in decreased activity of F2 protein
CTD PMID:15155122 PMID:16084352 PMID:16194202 PMID:17314111 NCBI chr 3:77,596,196...77,609,486
Ensembl chr 3:77,596,198...77,609,486
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            hematologic agent 4405
              anticoagulant 4187
                melagatran 1
                  ximelagatran 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                dicarboxylic acid amide 3140
                                                  dicarboxylic acid monoamide 677
                                                    melagatran 1
                                                      ximelagatran 1
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