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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:tubastatin A
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Accession:CHEBI:94186 term browser browse the term
Definition:A pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold).
Synonyms:exact_synonym: N-hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
 related_synonym: Formula=C20H21N3O2;   InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24);   InChIKey=GOVYBPLHWIEHEJ-UHFFFAOYSA-N;   N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;   SMILES=CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO
 xref: CAS:1252003-15-8;   LINCS:LSM-4806
 xref_mesh: MESH:C553587
 xref: PMID:20614936;   PMID:23541634;   PMID:24844691;   PMID:24909686;   PMID:25108326;   PMID:25921924;   PMID:26647018;   PMID:26790818;   Reaxys:20796421


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tubastatin A term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nfe2l2 nuclear factor, erythroid 2-like 2 multiple interactions ISO tubastatin A inhibits the reaction [sodium arsenite results in increased expression of NFE2L2 protein] CTD PMID:22367689 NCBI chr 3:62,497,568...62,525,146
Ensembl chr 3:62,497,571...62,524,996
JBrowse link
G Pdk1 pyruvate dehydrogenase kinase 1 multiple interactions ISO tubastatin A affects the reaction [PDK1 protein affects the abundance of Cyclic AMP] CTD PMID:28887310 NCBI chr 3:58,530,870...58,561,494
Ensembl chr 3:58,530,870...58,558,027
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        refrigerant 17418
          ammonia 16940
            organic amino compound 16939
              tertiary amino compound 8630
                tubastatin A 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
                                                hydroxamic acid 6264
                                                  tubastatin A 2
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