====== Asunaprenir 3μM R07 exp336 ======
==== Mechanism of Action ====
Block the enzymatic activity of the HCV NS3 protease
  * **<color #00a2e8>Class / Subclass 1:</color>** Infectious Disease / Antiviral
  * **<color #00a2e8>Class / Subclass 2:</color>** Proteostasis / Protease Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Asunaprevir%%
    * **<color #00a2e8>Synonyms:</color>** BMS-650032
    * **<color #00a2e8>CAS #:</color>** 630420-16-5
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/16076883|16076883]]
    * **<color #00a2e8>IUPAC:</color>** %%tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** XRWSZZJLZRKHHD-WVWIJVSJSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 748.3
    * **<color #00a2e8>Canonical SMILES:</color>** CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
    * **<color #00a2e8>Isomeric SMILES:</color>** CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
    * **<color #00a2e8>Molecular Formula:</color>** C35H46ClN5O9S
{{:chemogenomics:structures:chem-0194.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Cayman Chemical
    * **<color #00a2e8>Catalog #:</color>** 20835
    * **<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 C35H46ClN5O9S 748.27775; found 748.2781
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Asunaprenir
    * **<color #00a2e8>Min:</color>** -14.1488; **<color #00a2e8>Max:</color>** 71.6111
{{:chemogenomics:dose_response:dr_372.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |8.1460    |
| IC30  |9.5861    |
| IC40  |11.3074    |
| IC50  |13.6671    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 07
    * **<color #00a2e8>Dose</color>**: 3µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.8
    * **<color #00a2e8>Numbers of reads</color>**: 23139465


==== 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^
|2/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Asunaprenir_3uM_Round-7_exp336.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="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='Asunaprenir 3μM R07 exp336'>
{{:chemogenomics:cranks_plots:exp336.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:K:KDSR|KDSR]]|-3.42|<0.01|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-3.41|<0.01|
|[[:human_genes:C:CDIPT|CDIPT]]|-2.93|0.17|
|[[:human_genes:D:DKC1|DKC1]]|-2.57|0.67|
|[[:human_genes:E:EPAS1|EPAS1]]|-2.46|0.22|
|[[:human_genes:Z:ZMYM2|ZMYM2]]|-2.44|0.17|
|[[:human_genes:V:VEZT|VEZT]]|-2.21|0.35|
|[[:human_genes:M:MRPL33|MRPL33]]|-2.19|0.75|
|[[:human_genes:Z:ZNF267|ZNF267]]|-2.14|0.44|
|[[:human_genes:O:OSGEP|OSGEP]]|-2.10|0.54|
|[[:human_genes:R:RPE|RPE]]|-2.08|0.54|
|[[:human_genes:T:TXNL4B|TXNL4B]]|-2.06|0.54|
|[[:human_genes:R:RESP18|RESP18]]|-2.02|0.54|
|[[:human_genes:B:BGLAP|BGLAP]]|-2.00|0.54|
|[[:human_genes:Z:ZNF561|ZNF561]]|-2.00|0.54|
|[[:human_genes:S:SALL1|SALL1]]|-1.99|0.54|
|[[:human_genes:V:VPS37B|VPS37B]]|-1.98|0.54|
|[[:human_genes:K:KBTBD13|KBTBD13]]|-1.97|0.54|
|[[:human_genes:L:LOC286238|LOC286238]]|-1.96|0.54|
|[[:human_genes:W:WDR7|WDR7]]|-1.95|0.54|
|[[:human_genes:R:RCE1|RCE1]]|-1.93|0.54|
|[[:human_genes:T:TRIAP1|TRIAP1]]|-1.92|0.56|
|[[:human_genes:I:IL22RA2|IL22RA2]]|-1.91|0.54|
|[[:human_genes:B:BCAS3|BCAS3]]|-1.91|0.54|
|[[:human_genes:A:ALG5|ALG5]]|-1.89|0.54|
|[[:human_genes:I:IWS1|IWS1]]|-1.89|0.54|
|[[:human_genes:S:SUGT1|SUGT1]]|-1.87|0.54|
|[[:human_genes:R:RIBC1|RIBC1]]|-1.87|0.75|
|[[:human_genes:H:HN1L|HN1L]]|-1.86|0.54|
|[[:human_genes:T:TRIM13|TRIM13]]|-1.86|0.54|
|[[:human_genes:K:KPNB1|KPNB1]]|1.88|0.76|
|[[:human_genes:C:CYTIP|CYTIP]]|1.88|0.63|
|[[:human_genes:C:CTBP1|CTBP1]]|1.89|0.63|
|[[:human_genes:R:RPL7L1|RPL7L1]]|1.89|0.73|
|[[:human_genes:U:USP17L19|USP17L19]]|1.96|0.74|
|[[:human_genes:H:HK2|HK2]]|1.97|0.73|
|[[:human_genes:F:F12|F12]]|1.97|0.73|
|[[:human_genes:C:CCDC94|CCDC94]]|1.99|0.73|
|[[:human_genes:P:PCDHGB3|PCDHGB3]]|2.00|0.63|
|[[:human_genes:E:EPS8L3|EPS8L3]]|2.02|0.63|
|[[:human_genes:C:C19orf38|C19orf38]]|2.07|0.49|
|[[:human_genes:N:NKTR|NKTR]]|2.07|0.73|
|[[:human_genes:C:CLEC11A|CLEC11A]]|2.08|0.73|
|[[:human_genes:T:TRIM23|TRIM23]]|2.09|0.48|
|[[:human_genes:M:MTMR1|MTMR1]]|2.09|0.48|
|[[:human_genes:L:LRRC30|LRRC30]]|2.10|0.55|
|[[:human_genes:P:PANX3|PANX3]]|2.11|0.55|
|[[:human_genes:O:OR6K2|OR6K2]]|2.13|0.63|
|[[:human_genes:R:RPL17|RPL17]]|2.14|0.55|
|[[:human_genes:M:MRM1|MRM1]]|2.14|0.46|
|[[:human_genes:R:RPS3A|RPS3A]]|2.15|0.63|
|[[:human_genes:E:EIF3D|EIF3D]]|2.15|0.55|
|[[:human_genes:C:CKAP5|CKAP5]]|2.16|0.73|
|[[:human_genes:H:HIST1H2BI|HIST1H2BI]]|2.23|0.37|
|[[:human_genes:L:LRRC4C|LRRC4C]]|2.27|0.37|
|[[:human_genes:F:FTSJ3|FTSJ3]]|2.32|0.37|
|[[:human_genes:P:PLRG1|PLRG1]]|2.34|0.37|
|[[:human_genes:N:NLRP14|NLRP14]]|2.35|0.37|
|[[:human_genes:P:PLEKHS1|PLEKHS1]]|2.44|0.37|
|[[:human_genes:R:RPSA|RPSA]]|2.89|0.55|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp393|Resminostat 0.5μM R07 exp393]]|0.059|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp341|BRD2 inhibitor II 20μM R07 exp341]]|0.053|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp375|Lenalidomide 20μM R07 exp375]]|0.053|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp358|FK-506 5μM R07 exp358]]|0.051|<button type="primary" size="small" modal="4">View</button>|
</modal>


<modal id="1" size="lg" title="Asunaprenir 3μM R07 exp336  vs  Resminostat 0.5μM R07 exp393">
{{:chemogenomics:comparison_plots:exp336_vs_exp393.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Asunaprenir 3μM R07 exp336  vs  BRD2 inhibitor II 20μM R07 exp341">
{{:chemogenomics:comparison_plots:exp336_vs_exp341.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Asunaprenir 3μM R07 exp336  vs  Lenalidomide 20μM R07 exp375">
{{:chemogenomics:comparison_plots:exp336_vs_exp375.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Asunaprenir 3μM R07 exp336  vs  FK-506 5μM R07 exp358">
{{:chemogenomics:comparison_plots:exp336_vs_exp358.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">No GO term hits below threshold. (FDR <0.05)</modal>