LB-100 2μM R05 exp210 [The Human Chemical-Genetic Interaction Map Project]

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====== LB-100 2μM R05 exp210 ======
==== Mechanism of Action ====
Inhibits protein phosphatase 2A
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Phosphatase Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%LB-100%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1026680-07-8
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/3578572|3578572]]
    * **<color #00a2e8>IUPAC:</color>** %%3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)
    * **<color #00a2e8>INCHI Key:</color>** JUQMLSGOTNKJKI-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 268.31
    * **<color #00a2e8>Canonical SMILES:</color>** CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C13H20N2O4
{{:chemogenomics:structures:chem-0048.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Selleck Chemicals
    * **<color #00a2e8>Catalog #:</color>** S7537
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>LCMS:</color>** Tr 0.14 min, m/z 269+ [M+H]+, 267- [M-H]-
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** LB-100
    * **<color #00a2e8>Min:</color>** -10.4657; **<color #00a2e8>Max:</color>** 88.4509
{{:chemogenomics:dose_response:dr_13.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |3.7707    |
| IC30  |4.7035    |
| IC40  |5.6380    |
| IC50  |6.6580    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 05
    * **<color #00a2e8>Dose</color>**: 2µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 4.4
    * **<color #00a2e8>Numbers of reads</color>**: 20938108


==== 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^
|7/28|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/LB-100_2uM_Round-5_exp210.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="default" 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='LB-100 2μM R05 exp210'>
{{:chemogenomics:cranks_plots:exp210.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:R:RHOA|RHOA]]|-3.52|<0.01|
|[[:human_genes:T:TMEM30A|TMEM30A]]|-2.95|0.02|
|[[:human_genes:N:NAA60|NAA60]]|-2.94|0.01|
|[[:human_genes:D:DNAJC3|DNAJC3]]|-2.86|0.02|
|[[:human_genes:V:VPS25|VPS25]]|-2.80|0.23|
|[[:human_genes:A:ATP8B2|ATP8B2]]|-2.73|0.12|
|[[:human_genes:P:PPP1CA|PPP1CA]]|-2.55|0.08|
|[[:human_genes:S:STT3A|STT3A]]|-2.54|0.12|
|[[:human_genes:K:KIF18A|KIF18A]]|-2.52|0.05|
|[[:human_genes:L:LRRC8C|LRRC8C]]|-2.52|0.05|
|[[:human_genes:S:STMN1|STMN1]]|-2.51|0.05|
|[[:human_genes:O:OGFOD1|OGFOD1]]|-2.43|0.07|
|[[:human_genes:L:LRP10|LRP10]]|-2.43|0.11|
|[[:human_genes:M:MPRIP|MPRIP]]|-2.42|0.11|
|[[:human_genes:T:TMEM230|TMEM230]]|-2.42|0.11|
|[[:human_genes:F:FZR1|FZR1]]|-2.41|0.14|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.34|0.10|
|[[:human_genes:C:C7orf60|C7orf60]]|-2.27|0.14|
|[[:human_genes:R:ROCK2|ROCK2]]|-2.27|0.14|
|[[:human_genes:A:AUP1|AUP1]]|-2.25|0.20|
|[[:human_genes:M:MPHOSPH8|MPHOSPH8]]|-2.22|0.14|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.22|0.14|
|[[:human_genes:H:HIST1H3E|HIST1H3E]]|-2.20|0.15|
|[[:human_genes:E:ELP3|ELP3]]|-2.20|0.23|
|[[:human_genes:Z:ZMYM2|ZMYM2]]|-2.20|0.14|
|[[:human_genes:G:GNE|GNE]]|-2.19|0.14|
|[[:human_genes:N:NCAPD2|NCAPD2]]|-2.17|0.23|
|[[:human_genes:S:SOX7|SOX7]]|-2.17|0.14|
|[[:human_genes:T:TXNL1|TXNL1]]|-2.16|0.14|
|[[:human_genes:T:TSR3|TSR3]]|-2.13|0.14|
|[[:human_genes:M:MARCH5|MARCH5]]|2.31|0.05|
|[[:human_genes:B:BUD31|BUD31]]|2.31|0.34|
|[[:human_genes:B:BAK1|BAK1]]|2.32|0.04|
|[[:human_genes:G:GCN1L1|GCN1L1]]|2.32|0.04|
|[[:human_genes:M:MDH1|MDH1]]|2.35|0.04|
|[[:human_genes:N:NSF|NSF]]|2.37|0.23|
|[[:human_genes:S:STRAP|STRAP]]|2.37|0.04|
|[[:human_genes:Y:YLPM1|YLPM1]]|2.39|0.22|
|[[:human_genes:E:EIF2AK4|EIF2AK4]]|2.43|0.03|
|[[:human_genes:H:HFE2|HFE2]]|2.43|0.03|
|[[:human_genes:C:CD83|CD83]]|2.47|0.04|
|[[:human_genes:T:TOP2A|TOP2A]]|2.47|0.04|
|[[:human_genes:T:THRSP|THRSP]]|2.53|0.02|
|[[:human_genes:R:RSF1|RSF1]]|2.57|0.03|
|[[:human_genes:F:FXYD5|FXYD5]]|2.59|0.03|
|[[:human_genes:K:KLHDC3|KLHDC3]]|2.68|0.01|
|[[:human_genes:P:PDS5B|PDS5B]]|2.79|<0.01|
|[[:human_genes:C:CDC6|CDC6]]|2.81|0.03|
|[[:human_genes:A:ARID4B|ARID4B]]|2.83|0.01|
|[[:human_genes:N:NPEPPS|NPEPPS]]|2.89|<0.01|
|[[:human_genes:P:PACS1|PACS1]]|2.93|0.02|
|[[:human_genes:E:EIF4G1|EIF4G1]]|3.06|<0.01|
|[[:human_genes:T:TFIP11|TFIP11]]|3.10|<0.01|
|[[:human_genes:K:KCTD10|KCTD10]]|3.33|<0.01|
|[[:human_genes:S:SNN|SNN]]|3.39|<0.01|
|[[:human_genes:G:GOT1|GOT1]]|3.41|<0.01|
|[[:human_genes:D:DDX3X|DDX3X]]|3.64|<0.01|
|[[:human_genes:A:ATF4|ATF4]]|3.94|<0.01|
|[[:human_genes:E:EIF4A1|EIF4A1]]|4.42|<0.01|
|[[:human_genes:P:PEBP1|PEBP1]]|6.71|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp72|LB-100 4.1μM R02 exp72]]|0.122|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp240|Pyridostatin 4μM R05 exp240]]|0.078|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.059|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp216|Erlotinib 10μM R05 exp216]]|0.071|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.069|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.052|<button type="primary" size="small" modal="6">View</button>|
</modal>


<modal id="1" size="lg" title="LB-100 2μM R05 exp210  vs  LB-100 4.1μM R02 exp72">
{{:chemogenomics:comparison_plots:exp210_vs_exp72.png?nolink |}}
</modal>

<modal id="2" size="lg" title="LB-100 2μM R05 exp210  vs  Pyridostatin 4μM R05 exp240">
{{:chemogenomics:comparison_plots:exp210_vs_exp240.png?nolink |}}
</modal>

<modal id="3" size="lg" title="LB-100 2μM R05 exp210  vs  Vincristine 0.0005μM R04 exp190">
{{:chemogenomics:comparison_plots:exp190_vs_exp210.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Erlotinib 10μM R05 exp216  vs  LB-100 2μM R05 exp210">
{{:chemogenomics:comparison_plots:exp210_vs_exp216.png?nolink |}}
</modal>

<modal id="5" size="lg" title="Ethanol 0.01 R05 exp234  vs  LB-100 2μM R05 exp210">
{{:chemogenomics:comparison_plots:exp210_vs_exp234.png?nolink |}}
</modal>

<modal id="6" size="lg" title="GSK626616 14μM R08 exp485  vs  LB-100 2μM R05 exp210">
{{:chemogenomics:comparison_plots:exp210_vs_exp485.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|cellular response to leucine starvation|138.08|ATF4,EIF2AK4,GCN1|
|regulation of translation in response to stress|110.47|DDX3X,EIF4G1,EIF2AK4|
|regulation of translational initiation|27.97|ATF4,DDX3X,EIF4G1,EIF2AK4|
</modal>