====== 3-Bromopyruvate 7μM R04 exp175 ======
==== Mechanism of Action ====
Inhibits hexokinase II, pyruvate analog, enzyme alkylator, blocks glycolysis
  * **<color #00a2e8>Class / Subclass 1:</color>** Metabolism / Metabolic Enzyme Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Bromopyruvic acid%%
    * **<color #00a2e8>Synonyms:</color>** Bromopyruvic acid; Hexokinase II Inhibitor II, 3-BP; Bromopyruvic acid;Hexokinase II Inhibitor II, 3-BP
    * **<color #00a2e8>CAS #:</color>** 1113-59-3
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/70684|70684]]
    * **<color #00a2e8>IUPAC:</color>** %%3-bromo-2-oxopropanoic acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
    * **<color #00a2e8>INCHI Key:</color>** PRRZDZJYSJLDBS-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 166.96
    * **<color #00a2e8>Canonical SMILES:</color>** C(C(=O)C(=O)O)Br
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C3H3BrO3
{{:chemogenomics:structures:chem-0109.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Lancaster
    * **<color #00a2e8>Catalog #:</color>** L00720
    * **<color #00a2e8>Lot #:</color>** 10039674
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M-H)- Calcd for C3 H3 Br O3 164.91928; found 164.91875
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** 3-BrPA
    * **<color #00a2e8>Min:</color>** -11.1281; **<color #00a2e8>Max:</color>** 98.9907
{{:chemogenomics:dose_response:dr_177.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |6.8291    |
| IC30  |7.0416    |
| IC40  |7.2208    |
| IC50  |7.3892    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 04
    * **<color #00a2e8>Dose</color>**: 7µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.9
    * **<color #00a2e8>Numbers of reads</color>**: 14365188


==== Screen Results ====


^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^
|21/50|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/3-Bromopyruvate_7uM_Round-4_exp175.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="primary" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='3-Bromopyruvate 7μM R04 exp175'>
{{:chemogenomics:cranks_plots:exp175.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GCLM|GCLM]]|-4.10|<0.01|
|[[:human_genes:N:NPRL2|NPRL2]]|-3.99|<0.01|
|[[:human_genes:U:UBE2H|UBE2H]]|-3.60|<0.01|
|[[:human_genes:O:OSGIN2|OSGIN2]]|-3.54|<0.01|
|[[:human_genes:N:NPRL3|NPRL3]]|-3.54|<0.01|
|[[:human_genes:S:SZT2|SZT2]]|-3.53|<0.01|
|[[:human_genes:H:HEXIM1|HEXIM1]]|-3.27|<0.01|
|[[:human_genes:C:CHD1|CHD1]]|-3.22|<0.01|
|[[:human_genes:T:TNFAIP3|TNFAIP3]]|-3.12|<0.01|
|[[:human_genes:W:WDR26|WDR26]]|-3.09|<0.01|
|[[:human_genes:M:MSI2|MSI2]]|-3.05|<0.01|
|[[:human_genes:P:PRKAG1|PRKAG1]]|-2.99|<0.01|
|[[:human_genes:I:INTS12|INTS12]]|-2.90|<0.01|
|[[:human_genes:D:DHX36|DHX36]]|-2.84|<0.01|
|[[:human_genes:G:GID8|GID8]]|-2.76|<0.01|
|[[:human_genes:Y:YPEL5|YPEL5]]|-2.66|<0.01|
|[[:human_genes:M:MSL2|MSL2]]|-2.64|<0.01|
|[[:human_genes:S:SEPHS1|SEPHS1]]|-2.63|<0.01|
|[[:human_genes:D:DEPDC5|DEPDC5]]|-2.60|0.01|
|[[:human_genes:P:PDS5B|PDS5B]]|-2.58|0.01|
|[[:human_genes:G:G3BP1|G3BP1]]|-2.44|0.03|
|[[:human_genes:K:KIAA0391|KIAA0391]]|-2.36|0.07|
|[[:human_genes:D:DDX6|DDX6]]|-2.34|0.10|
|[[:human_genes:R:RBM26|RBM26]]|-2.34|0.10|
|[[:human_genes:C:C12orf66|C12orf66]]|-2.31|0.05|
|[[:human_genes:K:KIAA1210|KIAA1210]]|-2.27|0.06|
|[[:human_genes:T:TRAF2|TRAF2]]|-2.27|0.09|
|[[:human_genes:A:ATG9A|ATG9A]]|-2.26|0.19|
|[[:human_genes:S:STT3A|STT3A]]|-2.26|0.13|
|[[:human_genes:N:NCOR1|NCOR1]]|-2.25|0.07|
|[[:human_genes:T:TBC1D3K|TBC1D3K]]|2.62|0.18|
|[[:human_genes:C:CCDC101|CCDC101]]|2.64|0.01|
|[[:human_genes:C:CCNC|CCNC]]|2.70|<0.01|
|[[:human_genes:S:SP1|SP1]]|2.74|<0.01|
|[[:human_genes:H:HECTD1|HECTD1]]|2.76|<0.01|
|[[:human_genes:C:CDK2|CDK2]]|2.76|<0.01|
|[[:human_genes:W:WDR20|WDR20]]|2.82|<0.01|
|[[:human_genes:N:NRBP1|NRBP1]]|2.85|0.01|
|[[:human_genes:K:KAT2A|KAT2A]]|2.95|<0.01|
|[[:human_genes:M:MED13|MED13]]|2.98|<0.01|
|[[:human_genes:I:ID3|ID3]]|3.00|<0.01|
|[[:human_genes:T:TADA1|TADA1]]|3.05|<0.01|
|[[:human_genes:M:MIOS|MIOS]]|3.12|<0.01|
|[[:human_genes:A:AHCYL1|AHCYL1]]|3.20|<0.01|
|[[:human_genes:M:MED13L|MED13L]]|3.21|<0.01|
|[[:human_genes:S:SLFN11|SLFN11]]|3.25|<0.01|
|[[:human_genes:W:WDR24|WDR24]]|3.26|<0.01|
|[[:human_genes:V:VPS29|VPS29]]|3.28|<0.01|
|[[:human_genes:P:POLR2J|POLR2J]]|3.31|0.04|
|[[:human_genes:T:TADA2B|TADA2B]]|3.32|<0.01|
|[[:human_genes:M:MLST8|MLST8]]|3.36|<0.01|
|[[:human_genes:T:TAF5L|TAF5L]]|3.53|<0.01|
|[[:human_genes:S:SUPT7L|SUPT7L]]|3.56|<0.01|
|[[:human_genes:B:BRPF1|BRPF1]]|3.66|<0.01|
|[[:human_genes:B:BIRC6|BIRC6]]|4.12|<0.01|
|[[:human_genes:S:SLC16A1|SLC16A1]]|4.17|<0.01|
|[[:human_genes:U:UBA6|UBA6]]|5.20|<0.01|
|[[:human_genes:B:BSG|BSG]]|5.40|<0.01|
|[[:human_genes:S:SNX27|SNX27]]|5.52|<0.01|
|[[:human_genes:F:FBXO11|FBXO11]]|5.60|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.096|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.087|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.081|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp36|TRAIL 50ng/ml R00 exp36]]|0.078|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp35|TRAIL 5ng/ml R00 exp35]]|0.075|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp356|Docosahexaenoic-acid 50μM R07 exp356]]|0.072|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp180|Dynasore 10μM R04 exp180]]|0.071|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp75|MK-1775 0.32μM R02 exp75]]|0.068|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.064|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.063|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp499|LY2090314 0.003μM R08 exp499]]|0.058|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp59|UMK57 1μM R01 exp59]]|0.058|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.056|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.054|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp436|Dynasore 7μM R08 exp436]]|0.054|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp6|Bortezomib 0.005μM R00 exp6]]|0.053|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.052|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp312|2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312]]|0.062|<button type="primary" size="small" modal="18">View</button>|
</modal>


<modal id="1" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  UM131593 0.2μM R03 exp106">
{{:chemogenomics:comparison_plots:exp106_vs_exp175.png?nolink |}}
</modal>

<modal id="2" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Quercetin 20μM R08 exp517">
{{:chemogenomics:comparison_plots:exp175_vs_exp517.png?nolink |}}
</modal>

<modal id="3" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  LY2090314 0.003μM R08 exp500 no dilution day6">
{{:chemogenomics:comparison_plots:exp175_vs_exp500.png?nolink |}}
</modal>

<modal id="4" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  TRAIL 50ng/ml R00 exp36">
{{:chemogenomics:comparison_plots:exp175_vs_exp36.png?nolink |}}
</modal>

<modal id="5" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  TRAIL 5ng/ml R00 exp35">
{{:chemogenomics:comparison_plots:exp175_vs_exp35.png?nolink |}}
</modal>

<modal id="6" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Docosahexaenoic-acid 50μM R07 exp356">
{{:chemogenomics:comparison_plots:exp175_vs_exp356.png?nolink |}}
</modal>

<modal id="7" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Dynasore 10μM R04 exp180">
{{:chemogenomics:comparison_plots:exp175_vs_exp180.png?nolink |}}
</modal>

<modal id="8" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  MK-1775 0.32μM R02 exp75">
{{:chemogenomics:comparison_plots:exp175_vs_exp75.png?nolink |}}
</modal>

<modal id="9" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  BML-284 0.09μM R08 exp460">
{{:chemogenomics:comparison_plots:exp175_vs_exp460.png?nolink |}}
</modal>

<modal id="10" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Cryptotanshinone 12μM R05 exp227">
{{:chemogenomics:comparison_plots:exp175_vs_exp227.png?nolink |}}
</modal>

<modal id="11" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  LY2090314 0.003μM R08 exp499">
{{:chemogenomics:comparison_plots:exp175_vs_exp499.png?nolink |}}
</modal>

<modal id="12" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  UMK57 1μM R01 exp59">
{{:chemogenomics:comparison_plots:exp175_vs_exp59.png?nolink |}}
</modal>

<modal id="13" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Olaparib 4μM R08 exp512">
{{:chemogenomics:comparison_plots:exp175_vs_exp512.png?nolink |}}
</modal>

<modal id="14" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Aphidicolin 0.4μM R08 exp440">
{{:chemogenomics:comparison_plots:exp175_vs_exp440.png?nolink |}}
</modal>

<modal id="15" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Dynasore 7μM R08 exp436">
{{:chemogenomics:comparison_plots:exp175_vs_exp436.png?nolink |}}
</modal>

<modal id="16" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Bortezomib 0.005μM R00 exp6">
{{:chemogenomics:comparison_plots:exp175_vs_exp6.png?nolink |}}
</modal>

<modal id="17" size="lg" title="3-Bromopyruvate 7μM R04 exp175  vs  Thimerosal 0.85μM R08 exp529">
{{:chemogenomics:comparison_plots:exp175_vs_exp529.png?nolink |}}
</modal>

<modal id="18" size="lg" title="2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312  vs  3-Bromopyruvate 7μM R04 exp175">
{{:chemogenomics:comparison_plots:exp175_vs_exp312.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|GATOR1 complex|591.93|NPRL2,NPRL3|
|Seh1-associated complex|253.68|NPRL2,NPRL3,DEPDC5|
|negative regulation of TORC1 signaling|57.75|NPRL2,NPRL3,SZT2,DEPDC5|
|cellular response to amino acid starvation|49.33|NPRL2,NPRL3,SZT2,DEPDC5|
|response to amino acid starvation|46.43|NPRL2,NPRL3,SZT2,DEPDC5|
|negative regulation of TOR signaling|35.87|NPRL2,NPRL3,SZT2,DEPDC5|
|regulation of TORC1 signaling|27.53|NPRL2,NPRL3,SZT2,DEPDC5|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|GATOR2 complex|276.23|WDR24,MIOS|
|CKM complex|276.23|MED13,CCNC|
|SAGA complex|138.12|SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|SAGA-type complex|87.23|SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|histone acetylation|57.15|TAF5L,KAT2A,SGF29|
|internal peptidyl-lysine acetylation|48.75|TAF5L,KAT2A,SGF29|
|histone acetyltransferase complex|42.97|BRPF1,SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|protein acetyltransferase complex|38.67|BRPF1,SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|acetyltransferase complex|38.29|BRPF1,SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|peptidase complex|27.86|SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|regulation of RNA splicing|18.83|SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|regulation of DNA repair|16.41|SUPT7L,TAF5L,TADA2B,TADA1,KAT2A,SGF29|
|transferase complex, transferring phosphorus-containing groups|13.71|TAF5L,POLR2J,MED13,KAT2A,CDK2,CCNC,PFKP|
|transcription coactivator activity|12.37|SUPT7L,TAF5L,TADA2B,TADA1,MED13,KAT2A|
|regulation of DNA metabolic process|9.83|SUPT7L,TAF5L,TADA2B,SLFN11,TADA1,ID3,KAT2A,CDK2,SGF29|
|transferase complex|8.67|FBXO11,BRPF1,SUPT7L,TAF5L,TADA2B,POLR2J,TADA1,MED13,KAT2A,CDK2,CCNC,SGF29,PFKP|
|transcription coregulator activity|7.94|SUPT7L,TAF5L,TADA2B,MED13L,TADA1,MED13,KAT2A|
|intracellular protein-containing complex|6.31|FBXO11,BRPF1,SUPT7L,TAF5L,MLST8,TADA2B,POLR2J,TADA1,KAT2A,SGF29|
|post-translational protein modification|5.61|FBXO11,UBA6,BIRC6,TAF5L,WDR24,KAT2A,CDK2,HECTD1,SGF29|
</modal>