====== ML-792 0.2μM R08 exp505 ======
==== Mechanism of Action ====
Inhibits SUMO-activating enzyme (SAE)
  * **<color #00a2e8>Class / Subclass 1:</color>** Proteostasis / SUMOylation Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%[(1R,2S,4R)-4-[[5-[1-[(3-Bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1644342-14-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/86566743|86566743]]
    * **<color #00a2e8>IUPAC:</color>** %%[(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C21H23BrN6O5S/c22-15-3-1-2-13(6-15)10-28-5-4-18(27-28)20(30)17-9-24-12-25-21(17)26-16-7-14(19(29)8-16)11-33-34(23,31)32/h1-6,9,12,14,16,19,29H,7-8,10-11H2,(H2,23,31,32)(H,24,25,26)/t14-,16-,19+/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** PZCKLTWSXFDLLP-OGWOLHLISA-N
    * **<color #00a2e8>Molecular Weight:</color>** 551.4
    * **<color #00a2e8>Canonical SMILES:</color>** C1C(CC(C1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br
    * **<color #00a2e8>Isomeric SMILES:</color>** C1[C@H](C[C@@H]([C@H]1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br
    * **<color #00a2e8>Molecular Formula:</color>** C21H23BrN6O5S
{{:chemogenomics:structures:chem-0310.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** MedKoo Biosciences
    * **<color #00a2e8>Catalog #:</color>** 407886
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C21H23BrN6O5S 551.07068; found 551.07542
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** ML792
    * **<color #00a2e8>Min:</color>** 4.4131; **<color #00a2e8>Max:</color>** 87.1935
{{:chemogenomics:dose_response:dr_557.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |0.0014    |
| IC20  |0.0085    |
| IC30  |0.0286    |
| IC40  |0.0774    |
| IC50  |0.1928    |
| IC60  |0.4805    |
| IC70  |1.2990    |
| IC80  |4.3720    |
| IC90  |27.1400    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 200nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 2.5
    * **<color #00a2e8>Numbers of reads</color>**: 16377589


==== 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^
|9/77|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/ML-792_0.2uM_Round-8_exp505.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='ML-792 0.2μM R08 exp505'>
{{:chemogenomics:cranks_plots:exp505.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:N:NFATC2IP|NFATC2IP]]|-3.95|<0.01|
|[[:human_genes:U:UBE2K|UBE2K]]|-3.07|<0.01|
|[[:human_genes:X:XIAP|XIAP]]|-3.03|<0.01|
|[[:human_genes:A:ABCG2|ABCG2]]|-2.94|<0.01|
|[[:human_genes:U:UBE2D3|UBE2D3]]|-2.91|<0.01|
|[[:human_genes:B:BCL2|BCL2]]|-2.81|<0.01|
|[[:human_genes:S:SEC24C|SEC24C]]|-2.79|<0.01|
|[[:human_genes:R:RMI2|RMI2]]|-2.59|0.03|
|[[:human_genes:S:SMC5|SMC5]]|-2.58|0.06|
|[[:human_genes:U:UBE2D2|UBE2D2]]|-2.55|0.03|
|[[:human_genes:S:SMC2|SMC2]]|-2.51|0.26|
|[[:human_genes:G:GPBP1|GPBP1]]|-2.38|0.07|
|[[:human_genes:R:RMI1|RMI1]]|-2.36|0.07|
|[[:human_genes:S:SH3KBP1|SH3KBP1]]|-2.36|0.07|
|[[:human_genes:C:CCM2|CCM2]]|-2.35|0.07|
|[[:human_genes:N:NCAPG2|NCAPG2]]|-2.29|0.13|
|[[:human_genes:F:FAM13B|FAM13B]]|-2.27|0.10|
|[[:human_genes:A:AP2A1|AP2A1]]|-2.26|0.10|
|[[:human_genes:E:ERCC6L|ERCC6L]]|-2.24|0.17|
|[[:human_genes:S:SBNO1|SBNO1]]|-2.22|0.31|
|[[:human_genes:K:KCMF1|KCMF1]]|-2.22|0.11|
|[[:human_genes:C:CHMP7|CHMP7]]|-2.21|0.11|
|[[:human_genes:H:HOXC5|HOXC5]]|-2.21|0.11|
|[[:human_genes:C:CDCA5|CDCA5]]|-2.21|0.18|
|[[:human_genes:N:NHLRC2|NHLRC2]]|-2.20|0.18|
|[[:human_genes:R:RNF138|RNF138]]|-2.17|0.13|
|[[:human_genes:O:OPTN|OPTN]]|-2.16|0.13|
|[[:human_genes:E:ERCC6|ERCC6]]|-2.16|0.19|
|[[:human_genes:T:TRAIP|TRAIP]]|-2.15|0.41|
|[[:human_genes:M:MCM2|MCM2]]|-2.14|0.41|
|[[:human_genes:S:SUMO1|SUMO1]]|2.92|0.01|
|[[:human_genes:D:DPH1|DPH1]]|2.92|<0.01|
|[[:human_genes:Z:ZBTB17|ZBTB17]]|2.93|<0.01|
|[[:human_genes:Z:ZNF592|ZNF592]]|2.95|<0.01|
|[[:human_genes:A:ACSL4|ACSL4]]|2.99|<0.01|
|[[:human_genes:A:AHCYL1|AHCYL1]]|3.13|0.00|
|[[:human_genes:P:PCGF1|PCGF1]]|3.13|0.00|
|[[:human_genes:Y:YLPM1|YLPM1]]|3.13|<0.01|
|[[:human_genes:B:BAK1|BAK1]]|3.22|0.00|
|[[:human_genes:A:ADIPOR1|ADIPOR1]]|3.29|0.00|
|[[:human_genes:D:DRG1|DRG1]]|3.32|0.00|
|[[:human_genes:C:CCNL1|CCNL1]]|3.33|0.00|
|[[:human_genes:R:RHOH|RHOH]]|3.33|0.00|
|[[:human_genes:C:CCDC82|CCDC82]]|3.34|0.00|
|[[:human_genes:H:HEATR3|HEATR3]]|3.36|0.00|
|[[:human_genes:Z:ZC3H15|ZC3H15]]|3.51|0.00|
|[[:human_genes:R:RPL11|RPL11]]|3.51|<0.01|
|[[:human_genes:O:ODC1|ODC1]]|3.55|0.00|
|[[:human_genes:F:FAM60A|FAM60A]]|3.59|0.00|
|[[:human_genes:K:KIAA0020|KIAA0020]]|3.61|0.00|
|[[:human_genes:C:CDK6|CDK6]]|3.79|0.00|
|[[:human_genes:B:BRMS1|BRMS1]]|3.89|0.00|
|[[:human_genes:E:EIF3H|EIF3H]]|3.99|0.00|
|[[:human_genes:F:FAM111A|FAM111A]]|4.08|0.00|
|[[:human_genes:S:SUMO2|SUMO2]]|4.11|0.00|
|[[:human_genes:B:BRD1|BRD1]]|4.18|0.00|
|[[:human_genes:S:SLC4A7|SLC4A7]]|4.25|0.00|
|[[:human_genes:R:RPS25|RPS25]]|4.34|0.00|
|[[:human_genes:E:EIF4A1|EIF4A1]]|4.41|0.00|
|[[:human_genes:B:BEND3|BEND3]]|6.42|0.00|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp444|THZ531 0.225μM R08 exp444]]|0.102|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp21|MLN-4924 0.2μM R00 exp21]]|0.096|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp412|THZ531 0.11 to 0.125 to 0.35μM on day4 then day6 R07 exp412]]|0.094|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp413|THZ531 0.11 to 0.175μM on day4 R07 exp413]]|0.076|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.071|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.061|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp134|MS023 2μM R03 exp134]]|0.057|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp526|Sulforaphane 9μM R08 exp526 no dilution day6]]|0.056|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp102|Nifuroxazide 5μM R03 exp102]]|0.056|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp135|MS023 7μM R03 exp135]]|0.056|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp520|Rucaparib 6.5μM R08 exp520]]|0.052|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.095|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.07|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp116|AICAR 240μM R03 exp116]]|0.068|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.066|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp497|Lead acetate 2000μM R08 exp497]]|0.062|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.06|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp6|Bortezomib 0.005μM R00 exp6]]|0.06|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.056|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp374|Latrunculin-B 10μM R07 exp374]]|0.056|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp214|2-Deoxy-D-glucose 800μM R05 exp214]]|0.054|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.052|<button type="primary" size="small" modal="22">View</button>|
</modal>


<modal id="1" size="lg" title="ML-792 0.2μM R08 exp505  vs  THZ531 0.225μM R08 exp444">
{{:chemogenomics:comparison_plots:exp444_vs_exp505.png?nolink |}}
</modal>

<modal id="2" size="lg" title="ML-792 0.2μM R08 exp505  vs  MLN-4924 0.2μM R00 exp21">
{{:chemogenomics:comparison_plots:exp21_vs_exp505.png?nolink |}}
</modal>

<modal id="3" size="lg" title="ML-792 0.2μM R08 exp505  vs  THZ531 0.11 to 0.125 to 0.35μM on day4 then day6 R07 exp412">
{{:chemogenomics:comparison_plots:exp412_vs_exp505.png?nolink |}}
</modal>

<modal id="4" size="lg" title="ML-792 0.2μM R08 exp505  vs  THZ531 0.11 to 0.175μM on day4 R07 exp413">
{{:chemogenomics:comparison_plots:exp413_vs_exp505.png?nolink |}}
</modal>

<modal id="5" size="lg" title="ML-792 0.2μM R08 exp505  vs  Staurosporine 0.02μM R08 exp524">
{{:chemogenomics:comparison_plots:exp505_vs_exp524.png?nolink |}}
</modal>

<modal id="6" size="lg" title="ML-792 0.2μM R08 exp505  vs  Olaparib 4μM R08 exp512">
{{:chemogenomics:comparison_plots:exp505_vs_exp512.png?nolink |}}
</modal>

<modal id="7" size="lg" title="ML-792 0.2μM R08 exp505  vs  MS023 2μM R03 exp134">
{{:chemogenomics:comparison_plots:exp134_vs_exp505.png?nolink |}}
</modal>

<modal id="8" size="lg" title="ML-792 0.2μM R08 exp505  vs  Sulforaphane 9μM R08 exp526 no dilution day6">
{{:chemogenomics:comparison_plots:exp505_vs_exp526.png?nolink |}}
</modal>

<modal id="9" size="lg" title="ML-792 0.2μM R08 exp505  vs  Nifuroxazide 5μM R03 exp102">
{{:chemogenomics:comparison_plots:exp102_vs_exp505.png?nolink |}}
</modal>

<modal id="10" size="lg" title="ML-792 0.2μM R08 exp505  vs  MS023 7μM R03 exp135">
{{:chemogenomics:comparison_plots:exp135_vs_exp505.png?nolink |}}
</modal>

<modal id="11" size="lg" title="ML-792 0.2μM R08 exp505  vs  Rucaparib 6.5μM R08 exp520">
{{:chemogenomics:comparison_plots:exp505_vs_exp520.png?nolink |}}
</modal>

<modal id="12" size="lg" title="Ethanol 0.01 R05 exp234  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp234_vs_exp505.png?nolink |}}
</modal>

<modal id="13" size="lg" title="AICAR 240μM R05 exp211  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp211_vs_exp505.png?nolink |}}
</modal>

<modal id="14" size="lg" title="AICAR 240μM R03 exp116  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp116_vs_exp505.png?nolink |}}
</modal>

<modal id="15" size="lg" title="GSK626616 14μM R08 exp485  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp485_vs_exp505.png?nolink |}}
</modal>

<modal id="16" size="lg" title="Lead acetate 2000μM R08 exp497  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp497_vs_exp505.png?nolink |}}
</modal>

<modal id="17" size="lg" title="CB-5083 0.4μM R08 exp468  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp468_vs_exp505.png?nolink |}}
</modal>

<modal id="18" size="lg" title="Bortezomib 0.005μM R00 exp6  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp505_vs_exp6.png?nolink |}}
</modal>

<modal id="19" size="lg" title="Aphidicolin 0.4μM R08 exp440  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp440_vs_exp505.png?nolink |}}
</modal>

<modal id="20" size="lg" title="Latrunculin-B 10μM R07 exp374  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp374_vs_exp505.png?nolink |}}
</modal>

<modal id="21" size="lg" title="2-Deoxy-D-glucose 800μM R05 exp214  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp214_vs_exp505.png?nolink |}}
</modal>

<modal id="22" size="lg" title="LY2090314 0.003μM R08 exp500 no dilution day6  vs  ML-792 0.2μM R08 exp505">
{{:chemogenomics:comparison_plots:exp500_vs_exp505.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|RecQ family helicase-topoisomerase III complex|380.90|RMI2,RMI1|
|resolution of recombination intermediates|228.54|RMI2,RMI1|
|positive regulation of chromosome segregation|65.92|SMC5,SMC2,NCAPG2|
|chromosome condensation|57.13|SMC5,SMC2,NCAPG2,CDCA5|
|ubiquitin conjugating enzyme activity|53.56|UBE2K,UBE2D3,UBE2D2|
|double-strand break repair|17.06|RMI2,SMC5,RMI1,CDCA5,RNF138,ERCC6|
|protein polyubiquitination|14.00|UBE2K,XIAP,UBE2D3,BCL2,UBE2D2|
|ubiquitin protein ligase activity|11.76|UBE2K,XIAP,UBE2D3,UBE2D2,KCMF1,RNF138,TRAIP|
|ubiquitin-like protein ligase activity|11.17|UBE2K,XIAP,UBE2D3,UBE2D2,KCMF1,RNF138,TRAIP|
|DNA repair|9.75|UBE2D3,RMI2,SMC5,RMI1,CDCA5,RNF138,ERCC6,TRAIP|
|ubiquitin-protein transferase activity|9.19|UBE2K,XIAP,UBE2D3,UBE2D2,KCMF1,RNF138,TRAIP|
|ubiquitin-like protein transferase activity|8.62|UBE2K,XIAP,UBE2D3,UBE2D2,KCMF1,RNF138,TRAIP|
|aminoacyltransferase activity|8.33|UBE2K,XIAP,UBE2D3,UBE2D2,KCMF1,RNF138,TRAIP|
|DNA damage response|8.02|XIAP,UBE2D3,BCL2,RMI2,SMC5,RMI1,CDCA5,RNF138,ERCC6,TRAIP|
|protein modification by small protein conjugation|7.64|NFATC2IP,UBE2K,XIAP,UBE2D3,BCL2,SMC5,UBE2D2,RNF138,TRAIP|
|protein modification by small protein conjugation or removal|6.72|NFATC2IP,UBE2K,XIAP,UBE2D3,BCL2,SMC5,UBE2D2,RNF138,TRAIP|
|regulation of cell cycle process|6.60|BCL2,RMI2,SMC5,SMC2,NCAPG2,CHMP7,CDCA5,ERCC6|
|DNA metabolic process|6.40|UBE2D3,RMI2,SMC5,RMI1,CDCA5,RNF138,ERCC6,TRAIP|
|post-translational protein modification|5.80|NFATC2IP,UBE2K,XIAP,UBE2D3,BCL2,SMC5,UBE2D2,RNF138,TRAIP|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|cytoplasmic translation|29.85|EIF4A1,RPS25,EIF3H,RPL11,ZC3H15,DRG1|
</modal>