====== Apcin 25μM plus proTAME 2μM R04 exp177 ======
==== Mechanism of Action ====
Inhibits substrate interactions with APC/C-Cdc20
  * **<color #00a2e8>Class / Subclass 1:</color>** Proteostasis / E3 ubiquitin ligase inhibitor
  * **<color #00a2e8>Class / Subclass 2:</color>** Cell Cycle / Mitotic Inhibitor



==== Technical Notes ====

<accordion collapsed='true'>
=== Apcin ===
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Apcin%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 300815-04-7
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/2830389|2830389]]
    * **<color #00a2e8>IUPAC:</color>** %%2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)
    * **<color #00a2e8>INCHI Key:</color>** ZEXHXVOGJFGTRX-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 438.6
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NC2=NC=CC=N2)[N+](=O)[O-]
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C13H14Cl3N7O4
{{:chemogenomics:structures:chem-0110.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Boston Biochem
    * **<color #00a2e8>Catalog #:</color>** I-444
    * **<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 C13H14Cl3N7O4 438.02456; found 438.02545
</panel>





=== proTAME ===
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Methyl (2S)-5-[bis[(2-phenylacetyl)oxymethoxycarbonylamino]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1362911-19-0
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/56924780|56924780]]
    * **<color #00a2e8>IUPAC:</color>** %%methyl (2S)-5-[bis[(2-phenylacetyl)oxymethoxycarbonylamino]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C34H38N4O12S/c1-24-15-17-27(18-16-24)51(44,45)38-28(31(41)46-2)14-9-19-35-32(36-33(42)49-22-47-29(39)20-25-10-5-3-6-11-25)37-34(43)50-23-48-30(40)21-26-12-7-4-8-13-26/h3-8,10-13,15-18,28,38H,9,14,19-23H2,1-2H3,(H2,35,36,37,42,43)/t28-/m0/s1
    * **<color #00a2e8>INCHI Key:</color>** MHYOVHULCQSDRZ-NDEPHWFRSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 726.8
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(NC(=O)OCOC(=O)CC2=CC=CC=C2)NC(=O)OCOC(=O)CC3=CC=CC=C3)C(=O)OC
    * **<color #00a2e8>Isomeric SMILES:</color>** CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(NC(=O)OCOC(=O)CC2=CC=CC=C2)NC(=O)OCOC(=O)CC3=CC=CC=C3)C(=O)OC
    * **<color #00a2e8>Molecular Formula:</color>** C34H38N4O12S
{{:chemogenomics:structures:chem-0120.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Boston Biochem
    * **<color #00a2e8>Catalog #:</color>** I-440
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>LCMS:</color>** Tr 1.24 min, m/z 203-
</panel>




===Apcin+proTAME===
<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Apcin_25uM+proTAME
    * **<color #00a2e8>Min:</color>** -20.0516; **<color #00a2e8>Max:</color>** 70.3376
{{:chemogenomics:dose_response:dr_186.png?nolink&500 |}}
\\ 
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |3.9640    |
| IC30  |4.7857    |
| IC40  |5.5848    |
| IC50  |6.4350    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
\\ 
\\ 


The dose response curve for Apcin is also available at:
  * [[results:exp176|exp176]]
The dose response curve for proTAME is also available at:
  * [[results:exp187|exp187]]
</panel>


</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 04
    * **<color #00a2e8>Dose</color>**: 25µM + 2µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.0
    * **<color #00a2e8>Numbers of reads</color>**: 26092227


==== 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^
|15/6|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Apcin_25uM_proTAME_2uM_Round-4_exp177.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="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='Apcin 25μM plus proTAME 2μM R04 exp177'>
{{:chemogenomics:cranks_plots:exp177.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:T:TRIP13|TRIP13]]|-3.74|<0.01|
|[[:human_genes:A:ATP2B1|ATP2B1]]|-3.62|<0.01|
|[[:human_genes:A:ANAPC15|ANAPC15]]|-3.50|<0.01|
|[[:human_genes:S:SLC18B1|SLC18B1]]|-3.44|<0.01|
|[[:human_genes:U:UBE2C|UBE2C]]|-3.36|<0.01|
|[[:human_genes:U:UBE2S|UBE2S]]|-3.24|<0.01|
|[[:human_genes:M:MAD2L1BP|MAD2L1BP]]|-2.95|<0.01|
|[[:human_genes:L:LAMTOR4|LAMTOR4]]|-2.85|<0.01|
|[[:human_genes:R:RSRC2|RSRC2]]|-2.83|0.06|
|[[:human_genes:R:RAB7A|RAB7A]]|-2.74|<0.01|
|[[:human_genes:A:ARID4B|ARID4B]]|-2.71|0.02|
|[[:human_genes:T:TCF4|TCF4]]|-2.58|0.02|
|[[:human_genes:A:ANAPC7|ANAPC7]]|-2.58|0.02|
|[[:human_genes:R:RBM15|RBM15]]|-2.52|0.02|
|[[:human_genes:P:PTAR1|PTAR1]]|-2.52|0.05|
|[[:human_genes:A:ANAPC13|ANAPC13]]|-2.50|0.05|
|[[:human_genes:A:ARL1|ARL1]]|-2.45|0.03|
|[[:human_genes:S:SNUPN|SNUPN]]|-2.43|0.06|
|[[:human_genes:D:DNAJC8|DNAJC8]]|-2.40|0.05|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.33|0.06|
|[[:human_genes:S:SLC5A6|SLC5A6]]|-2.30|0.06|
|[[:human_genes:T:THOP1|THOP1]]|-2.29|0.06|
|[[:human_genes:A:ABCC1|ABCC1]]|-2.28|0.06|
|[[:human_genes:C:CCNB1|CCNB1]]|-2.18|0.15|
|[[:human_genes:T:THG1L|THG1L]]|-2.17|0.11|
|[[:human_genes:A:ATP6V1G1|ATP6V1G1]]|-2.16|0.16|
|[[:human_genes:A:ADSL|ADSL]]|-2.16|0.16|
|[[:human_genes:C:C16orf86|C16orf86]]|-2.15|0.12|
|[[:human_genes:S:SMLR1|SMLR1]]|-2.14|0.12|
|[[:human_genes:K:KDSR|KDSR]]|-2.13|0.12|
|[[:human_genes:I:ILDR2|ILDR2]]|2.02|0.38|
|[[:human_genes:D:DGCR14|DGCR14]]|2.03|0.42|
|[[:human_genes:E:EXOSC3|EXOSC3]]|2.04|0.42|
|[[:human_genes:A:ALAD|ALAD]]|2.04|0.42|
|[[:human_genes:D:DEFB110|DEFB110]]|2.05|0.69|
|[[:human_genes:S:SLC4A1|SLC4A1]]|2.06|0.69|
|[[:human_genes:P:PAK4|PAK4]]|2.06|0.42|
|[[:human_genes:T:TSPY8|TSPY8]]|2.08|0.77|
|[[:human_genes:N:NARFL|NARFL]]|2.09|0.65|
|[[:human_genes:F:FNDC3A|FNDC3A]]|2.12|0.23|
|[[:human_genes:F:FAM172A|FAM172A]]|2.12|0.23|
|[[:human_genes:P:POLR2J2|POLR2J2]]|2.12|0.77|
|[[:human_genes:S:SLC5A3|SLC5A3]]|2.12|0.23|
|[[:human_genes:N:NUP43|NUP43]]|2.13|0.48|
|[[:human_genes:D:DHX38|DHX38]]|2.17|0.62|
|[[:human_genes:R:RNH1|RNH1]]|2.20|0.21|
|[[:human_genes:G:GPATCH8|GPATCH8]]|2.21|0.21|
|[[:human_genes:D:DDX47|DDX47]]|2.26|0.77|
|[[:human_genes:A:AOC2|AOC2]]|2.26|0.23|
|[[:human_genes:A:ABHD17B|ABHD17B]]|2.30|0.14|
|[[:human_genes:C:CDC14A|CDC14A]]|2.39|0.11|
|[[:human_genes:M:MDH1|MDH1]]|2.46|0.14|
|[[:human_genes:P:POLR2J3|POLR2J3]]|2.47|0.77|
|[[:human_genes:R:RBP4|RBP4]]|2.57|0.04|
|[[:human_genes:R:RAB10|RAB10]]|2.63|0.04|
|[[:human_genes:N:NCEH1|NCEH1]]|2.85|0.01|
|[[:human_genes:N:NOC3L|NOC3L]]|2.87|0.23|
|[[:human_genes:Z:ZNF653|ZNF653]]|3.21|<0.01|
|[[:human_genes:C:CCNB2|CCNB2]]|3.44|<0.01|
|[[:human_genes:A:ABHD6|ABHD6]]|5.87|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp187|proTAME 5μM R04 exp187]]|0.148|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp176|Apcin 50 to 100μM on day4 R04 exp176]]|0.094|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.06|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp247|UM0130462 0.025 to 0.035μM day4 R05 exp247]]|0.057|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp165|RO-3306 3 to 4μM on day4 R04 exp165]]|0.055|<button type="primary" size="small" modal="5">View</button>|
</modal>


<modal id="1" size="lg" title="Apcin 25μM plus proTAME 2μM R04 exp177  vs  proTAME 5μM R04 exp187">
{{:chemogenomics:comparison_plots:exp177_vs_exp187.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Apcin 25μM plus proTAME 2μM R04 exp177  vs  Apcin 50 to 100μM on day4 R04 exp176">
{{:chemogenomics:comparison_plots:exp176_vs_exp177.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Apcin 25μM plus proTAME 2μM R04 exp177  vs  Vincristine 0.0005μM R04 exp190">
{{:chemogenomics:comparison_plots:exp177_vs_exp190.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Apcin 25μM plus proTAME 2μM R04 exp177  vs  UM0130462 0.025 to 0.035μM day4 R05 exp247">
{{:chemogenomics:comparison_plots:exp177_vs_exp247.png?nolink |}}
</modal>

<modal id="5" size="lg" title="Apcin 25μM plus proTAME 2μM R04 exp177  vs  RO-3306 3 to 4μM on day4 R04 exp165">
{{:chemogenomics:comparison_plots:exp165_vs_exp177.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|anaphase-promoting complex|159.37|ANAPC15,UBE2C,UBE2S,ANAPC7,ANAPC13|
|anaphase-promoting complex-dependent catabolic process|159.37|ANAPC15,UBE2C,UBE2S,ANAPC7,ANAPC13|
|positive regulation of mitotic metaphase/anaphase transition|147.11|UBE2C,MAD2L1BP,ANAPC7|
|positive regulation of metaphase/anaphase transition of cell cycle|136.60|UBE2C,MAD2L1BP,ANAPC7|
|positive regulation of mitotic sister chromatid separation|112.49|UBE2C,MAD2L1BP,ANAPC7|
|regulation of spindle checkpoint|95.62|ANAPC15,MAD2L1BP,CCNB1|
|protein K11-linked ubiquitination|91.07|UBE2C,UBE2S,ANAPC7,ANAPC13|
|nuclear ubiquitin ligase complex|74.12|ANAPC15,UBE2C,UBE2S,ANAPC7,ANAPC13|
|regulation of mitotic sister chromatid separation|65.94|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of chromosome separation|52.39|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of mitotic sister chromatid segregation|48.11|TRIP13,ANAPC15,MAD2L1BP,CCNB1|
|regulation of mitotic metaphase/anaphase transition|42.97|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of metaphase/anaphase transition of cell cycle|41.57|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of meiotic cell cycle|40.47|TRIP13,ANAPC15,ANAPC7,ANAPC13|
|regulation of sister chromatid segregation|37.13|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of mitotic nuclear division|32.69|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of chromosome segregation|30.36|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of nuclear division|26.56|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
|regulation of chromosome organization|15.80|TRIP13,ANAPC15,UBE2C,MAD2L1BP,ANAPC7,CCNB1|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>