====== PFI-2 4μM R05 exp239 ======
==== Mechanism of Action ====
Inhibits SETD7 lysine methyltransferase (H3K4me)
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%8-Fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1627607-88-8
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/91691132|91691132]]
    * **<color #00a2e8>IUPAC:</color>** %%8-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m0./s1
    * **<color #00a2e8>INCHI Key:</color>** ZADKZNVAJGEFLC-BOXHHOBZSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 536
    * **<color #00a2e8>Canonical SMILES:</color>** C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl
    * **<color #00a2e8>Isomeric SMILES:</color>** C1CCN(C1)C(=O)[C@H](CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl
    * **<color #00a2e8>Molecular Formula:</color>** C23H26ClF4N3O3S
{{:chemogenomics:structures:chem-0144.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Structural Genomics Consortium
    * **<color #00a2e8>Catalog #:</color>** N/A
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C23H25F4N3O3S 500.16255; found 500.16424
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** PFI2
    * **<color #00a2e8>Min:</color>** -11.2216; **<color #00a2e8>Max:</color>** 8.6996
{{:chemogenomics:dose_response:dr_107.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |N/A    |
| IC30  |N/A    |
| IC40  |N/A    |
| IC50  |N/A    |
| 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>**: 4µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.1
    * **<color #00a2e8>Numbers of reads</color>**: 13134382


==== 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^
|1/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/PFI-2_4uM_Round-5_exp239.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='PFI-2 4μM R05 exp239'>
{{:chemogenomics:cranks_plots:exp239.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GCLM|GCLM]]|-3.21|<0.01|
|[[:human_genes:E:ERCC2|ERCC2]]|-2.95|0.16|
|[[:human_genes:D:DDX39A|DDX39A]]|-2.58|0.08|
|[[:human_genes:C:C3orf56|C3orf56]]|-2.58|0.08|
|[[:human_genes:A:ARIH1|ARIH1]]|-2.42|0.21|
|[[:human_genes:N:NEDD8|NEDD8]]|-2.41|0.21|
|[[:human_genes:D:DCAF15|DCAF15]]|-2.37|0.22|
|[[:human_genes:T:TSC1|TSC1]]|-2.29|0.21|
|[[:human_genes:A:ANKRD55|ANKRD55]]|-2.24|0.38|
|[[:human_genes:N:NPRL2|NPRL2]]|-2.21|0.23|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.16|0.55|
|[[:human_genes:G:GTF2A2|GTF2A2]]|-2.15|0.37|
|[[:human_genes:R:RTCB|RTCB]]|-2.12|0.58|
|[[:human_genes:T:TXNL4B|TXNL4B]]|-2.10|0.49|
|[[:human_genes:H:HIST1H3E|HIST1H3E]]|-2.08|0.38|
|[[:human_genes:S:SLC25A47|SLC25A47]]|-2.08|0.37|
|[[:human_genes:C:CBX3|CBX3]]|-2.07|0.37|
|[[:human_genes:G:GCLC|GCLC]]|-2.07|0.38|
|[[:human_genes:M:MCM9|MCM9]]|-2.07|0.38|
|[[:human_genes:C:CHST6|CHST6]]|-2.07|0.37|
|[[:human_genes:Z:ZC3H14|ZC3H14]]|-2.06|0.37|
|[[:human_genes:C:COX15|COX15]]|-2.04|0.37|
|[[:human_genes:T:TBK1|TBK1]]|-2.04|0.37|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.02|0.55|
|[[:human_genes:A:ATIC|ATIC]]|-2.00|0.38|
|[[:human_genes:D:DGCR6|DGCR6]]|-2.00|0.38|
|[[:human_genes:G:GFPT1|GFPT1]]|-1.99|0.66|
|[[:human_genes:X:XPO5|XPO5]]|-1.98|0.49|
|[[:human_genes:C:CUBN|CUBN]]|-1.98|0.38|
|[[:human_genes:E:ELSPBP1|ELSPBP1]]|-1.97|0.49|
|[[:human_genes:H:H2AFJ|H2AFJ]]|1.96|0.57|
|[[:human_genes:C:CDC20|CDC20]]|1.96|0.57|
|[[:human_genes:C:CASP10|CASP10]]|1.97|0.56|
|[[:human_genes:P:PSMC3|PSMC3]]|1.98|0.80|
|[[:human_genes:C:CD68|CD68]]|1.98|0.62|
|[[:human_genes:G:GPR19|GPR19]]|1.98|0.56|
|[[:human_genes:A:A2ML1|A2ML1]]|1.99|0.57|
|[[:human_genes:L:LOC643669|LOC643669]]|2.00|0.57|
|[[:human_genes:Z:ZNF286A|ZNF286A]]|2.01|0.53|
|[[:human_genes:T:TLCD1|TLCD1]]|2.06|0.44|
|[[:human_genes:T:TIGD7|TIGD7]]|2.06|0.56|
|[[:human_genes:Z:ZSWIM5|ZSWIM5]]|2.07|0.44|
|[[:human_genes:P:PSMD14|PSMD14]]|2.14|0.75|
|[[:human_genes:R:RPS13|RPS13]]|2.16|0.75|
|[[:human_genes:N:NOP16|NOP16]]|2.16|0.62|
|[[:human_genes:G:GOLGA8K|GOLGA8K]]|2.17|0.37|
|[[:human_genes:T:TCF7L2|TCF7L2]]|2.17|0.37|
|[[:human_genes:A:ARHGEF35|ARHGEF35]]|2.20|0.56|
|[[:human_genes:G:GOLGA8H|GOLGA8H]]|2.21|0.61|
|[[:human_genes:D:DDX53|DDX53]]|2.27|0.37|
|[[:human_genes:G:GOLGA8J|GOLGA8J]]|2.28|0.37|
|[[:human_genes:C:CARF|CARF]]|2.31|0.37|
|[[:human_genes:H:HMGN5|HMGN5]]|2.40|0.37|
|[[:human_genes:M:MARVELD1|MARVELD1]]|2.41|0.75|
|[[:human_genes:N:NUMA1|NUMA1]]|2.50|0.37|
|[[:human_genes:D:DNM2|DNM2]]|2.57|0.57|
|[[:human_genes:R:RAD51C|RAD51C]]|2.60|0.37|
|[[:human_genes:N:NDC80|NDC80]]|2.64|0.57|
|[[:human_genes:S:SART3|SART3]]|2.70|0.37|
|[[:human_genes:U:UTP20|UTP20]]|3.30|0.14|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp247|UM0130462 0.025 to 0.035μM day4 R05 exp247]]|0.062|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp237|NN-Diethyl-meta-toluamide 100μM R05 exp237]]|0.057|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp340|BN82002 4μM R07 exp340]]|0.056|<button type="primary" size="small" modal="3">View</button>|
</modal>


<modal id="1" size="lg" title="PFI-2 4μM R05 exp239  vs  UM0130462 0.025 to 0.035μM day4 R05 exp247">
{{:chemogenomics:comparison_plots:exp239_vs_exp247.png?nolink |}}
</modal>

<modal id="2" size="lg" title="NN-Diethyl-meta-toluamide 100μM R05 exp237  vs  PFI-2 4μM R05 exp239">
{{:chemogenomics:comparison_plots:exp237_vs_exp239.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BN82002 4μM R07 exp340  vs  PFI-2 4μM R05 exp239">
{{:chemogenomics:comparison_plots:exp239_vs_exp340.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^
|meiotic cell cycle phase transition|368.22|NDC80,CDC20|
|Golgi cis cisterna|69.04|GOLGA8J,GOLGA8H,GOLGA8K|
|spindle assembly|35.47|NDC80,NUMA1,GOLGA8J,GOLGA8H,GOLGA8K,RPS3,CDC20|
|spindle organization|22.48|NDC80,NUMA1,GOLGA8J,GOLGA8H,GOLGA8K,RPS3,CDC20|
|chromosome segregation|11.82|NDC80,NUMA1,GOLGA8J,GOLGA8H,GOLGA8K,RPS3,CDC20|
|non-membrane-bounded organelle assembly|11.58|NDC80,NUMA1,GOLGA8J,GOLGA8H,GOLGA8K,RPS3,CDC20|
|cell cycle process|5.69|NDC80,RAD51C,DNM2,NUMA1,GOLGA8J,GOLGA8H,GOLGA8K,RPS3,CDC20|
</modal>