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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:ilomastat
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Accession:CHEBI:137236 term browser browse the term
Definition:An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor
Synonyms:related_synonym: (2R)-N(4)-hydroxy-N(1)-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide;   CS 610;   GM 6001;   GM6001;   galardin
 alt_id: CHEBI:42919
 xref: CAS:142880-36-2
 xref_mesh: MESH:C119203
 xref: Reaxys:7982373;   kegg.drug:D03793;   lincs.smallmolecule:LSM-3143;   pdb-ccd:GM6;   pubmed:12410973;   pubmed:14568001;   pubmed:15350544;   pubmed:16565079;   pubmed:16712832;   pubmed:18782669;   pubmed:18790756;   pubmed:18837084;   pubmed:19545667;   pubmed:20299089;   pubmed:20818082;   pubmed:21040999;   pubmed:21146503;   pubmed:22512086;   pubmed:22903888;   pubmed:23141517;   pubmed:23870824;   pubmed:24380772;   pubmed:24589605;   pubmed:25576979;   pubmed:26171681;   pubmed:26394037;   pubmed:27038494;   pubmed:27112177;   pubmed:27296149;   pubmed:27708133;   pubmed:27743382;   pubmed:28297575;   pubmed:28298987;   pubmed:28417261;   wikipedia.en:Ilomastat
 chemrof_formula: C20H28N4O4
 chemrof_smiles: CNC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C
 chemrof_inchi: InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
 chemrof_inchikey: NITYDPDXAAFEIT-DYVFJYSZSA-N


show annotations for term's descendants           Sort by:
ilomastat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Il13 interleukin 13 multiple interactions EXP ilomastat inhibits the reaction [Mustard Gas results in increased expression of IL13 protein] CTD PMID:18852015 NCBI chr10:38,290,926...38,293,483
Ensembl chr10:38,290,926...38,293,483 		JBrowse link
G Mmp1 matrix metallopeptidase 1 multiple interactions EXP ilomastat affects the reaction [Trinitrobenzenesulfonic Acid results in increased expression of MMP1 protein]; ilomastat inhibits the reaction [Trinitrobenzenesulfonic Acid results in increased expression of MMP1 mRNA] CTD PMID:18837084 NCBI chr 8:12,943,453...12,963,966
Ensembl chr 8:12,943,453...12,963,964 		JBrowse link
G Timp1 TIMP metallopeptidase inhibitor 1 multiple interactions EXP ilomastat affects the reaction [Trinitrobenzenesulfonic Acid results in increased expression of TIMP1 mRNA]; ilomastat affects the reaction [Trinitrobenzenesulfonic Acid results in increased expression of TIMP1 protein] CTD PMID:18837084 NCBI chr  X:3,766,509...3,772,578
Ensembl chr  X:3,766,510...3,771,135 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      application 20572
        anti-inflammatory agent 16713
          ilomastat 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  carbon oxoacid 17678
                                    carboxylic acid 17675
                                      N-acyl-amino acid 10237
                                        ilomastat 3
paths to the root