====== Aminopterin 0.005μM R07 exp335 ======
==== Mechanism of Action ====
Inhibits dihydrofolate reductase (DHFR)
  * **<color #00a2e8>Class / Subclass 1:</color>** Metabolism / Antimetabolite
  * **<color #00a2e8>Class / Subclass 2:</color>** DNA Damage, Repair and Replication / Replication Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Aminopterin%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 54-62-6
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/169371|169371]]
    * **<color #00a2e8>IUPAC:</color>** %%(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
    * **<color #00a2e8>INCHI Key:</color>** TVZGACDUOSZQKY-LBPRGKRZSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 440.4
    * **<color #00a2e8>Canonical SMILES:</color>** C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
    * **<color #00a2e8>Isomeric SMILES:</color>** C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
    * **<color #00a2e8>Molecular Formula:</color>** C19H20N8O5
{{:chemogenomics:structures:chem-0193.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals
    * **<color #00a2e8>Catalog #:</color>** A628850
    * **<color #00a2e8>Lot #:</color>** 2-ZNL-62-1
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C19H20N8O5 441.16294; found 441.16352
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Aminopterin
    * **<color #00a2e8>Min:</color>** -2.1009; **<color #00a2e8>Max:</color>** 86.4172
{{:chemogenomics:dose_response:dr_417.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0041    |
| IC30  |0.0048    |
| IC40  |0.0055    |
| IC50  |0.0063    |
| 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>**: 5nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.2
    * **<color #00a2e8>Numbers of reads</color>**: 21491796


==== 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^
|3/111|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Aminopterin_0.005uM_Round-7_exp335.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='Aminopterin 0.005μM R07 exp335'>
{{:chemogenomics:cranks_plots:exp335.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PRAMEF25|PRAMEF25]]|-2.97|0.26|
|[[:human_genes:P:PRAMEF26|PRAMEF26]]|-2.96|0.26|
|[[:human_genes:K:KCNJ2|KCNJ2]]|-2.96|0.01|
|[[:human_genes:K:KIAA0922|KIAA0922]]|-2.92|0.01|
|[[:human_genes:G:GPATCH8|GPATCH8]]|-2.73|0.03|
|[[:human_genes:T:TRAF2|TRAF2]]|-2.70|0.08|
|[[:human_genes:C:CDK12|CDK12]]|-2.61|0.13|
|[[:human_genes:C:CDC73|CDC73]]|-2.55|0.22|
|[[:human_genes:A:ATXN7L3|ATXN7L3]]|-2.53|0.12|
|[[:human_genes:U:USP5|USP5]]|-2.49|0.12|
|[[:human_genes:N:NPRL2|NPRL2]]|-2.49|0.08|
|[[:human_genes:P:PSMB3|PSMB3]]|-2.48|0.25|
|[[:human_genes:N:NAA38|NAA38]]|-2.39|0.21|
|[[:human_genes:C:CDAN1|CDAN1]]|-2.36|0.25|
|[[:human_genes:G:G3BP1|G3BP1]]|-2.36|0.12|
|[[:human_genes:N:NR2C2|NR2C2]]|-2.29|0.13|
|[[:human_genes:N:NCAPH|NCAPH]]|-2.29|0.25|
|[[:human_genes:A:ATRX|ATRX]]|-2.25|0.15|
|[[:human_genes:T:TMEM39A|TMEM39A]]|-2.23|0.15|
|[[:human_genes:P:P4HB|P4HB]]|-2.23|0.15|
|[[:human_genes:M:MCM5|MCM5]]|-2.23|0.32|
|[[:human_genes:T:TMSB15B|TMSB15B]]|-2.22|0.39|
|[[:human_genes:C:C9orf156|C9orf156]]|-2.21|0.15|
|[[:human_genes:E:EPAS1|EPAS1]]|-2.20|0.23|
|[[:human_genes:N:NLK|NLK]]|-2.18|0.26|
|[[:human_genes:N:NOSIP|NOSIP]]|-2.17|0.25|
|[[:human_genes:O:OR4K17|OR4K17]]|-2.17|0.18|
|[[:human_genes:S:SIRT6|SIRT6]]|-2.15|0.25|
|[[:human_genes:M:MAPK12|MAPK12]]|-2.14|0.25|
|[[:human_genes:R:RFC5|RFC5]]|-2.14|0.20|
|[[:human_genes:B:BCOR|BCOR]]|2.98|0.00|
|[[:human_genes:C:C18orf32|C18orf32]]|3.03|0.04|
|[[:human_genes:P:PPIH|PPIH]]|3.06|0.00|
|[[:human_genes:Y:YBX1|YBX1]]|3.09|0.00|
|[[:human_genes:Y:YLPM1|YLPM1]]|3.17|<0.01|
|[[:human_genes:S:SEC31A|SEC31A]]|3.19|0.00|
|[[:human_genes:S:SLC16A1|SLC16A1]]|3.19|0.00|
|[[:human_genes:C:CRYAA|CRYAA]]|3.22|0.00|
|[[:human_genes:S:SRRD|SRRD]]|3.42|0.00|
|[[:human_genes:I:IKZF1|IKZF1]]|3.48|0.00|
|[[:human_genes:C:CMIP|CMIP]]|3.52|0.00|
|[[:human_genes:L:LRRC3|LRRC3]]|3.56|0.00|
|[[:human_genes:C:C9orf41|C9orf41]]|3.64|0.00|
|[[:human_genes:T:TFDP1|TFDP1]]|3.65|0.00|
|[[:human_genes:E:EZH2|EZH2]]|3.74|0.00|
|[[:human_genes:K:KRTAP10-6|KRTAP10-6]]|3.76|0.00|
|[[:human_genes:C:CDK2|CDK2]]|3.76|0.00|
|[[:human_genes:S:SCAP|SCAP]]|3.87|0.00|
|[[:human_genes:H:HNRNPH1|HNRNPH1]]|3.89|0.00|
|[[:human_genes:P:PDXK|PDXK]]|3.89|0.00|
|[[:human_genes:E:E2F2|E2F2]]|3.95|0.00|
|[[:human_genes:C:CTNNBL1|CTNNBL1]]|3.98|0.00|
|[[:human_genes:C:CNOT4|CNOT4]]|4.28|0.00|
|[[:human_genes:A:AHCYL1|AHCYL1]]|4.62|0.00|
|[[:human_genes:Z:ZC3H7A|ZC3H7A]]|4.72|0.00|
|[[:human_genes:M:MBNL1|MBNL1]]|4.87|0.00|
|[[:human_genes:T:TMEM30A|TMEM30A]]|4.89|0.00|
|[[:human_genes:Z:ZBTB7A|ZBTB7A]]|7.73|0.00|
|[[:human_genes:S:SLC19A1|SLC19A1]]|8.43|0.00|
|[[:human_genes:N:NAA60|NAA60]]|8.49|0.00|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp501|Methotrexate 0.01μM R08 exp501]]|0.081|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.057|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp35|TRAIL 5ng/ml R00 exp35]]|0.056|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp407|Thapsigargin 0.005μM R07 exp407]]|0.054|<button type="primary" size="small" modal="4">View</button>|
</modal>


<modal id="1" size="lg" title="Aminopterin 0.005μM R07 exp335  vs  Methotrexate 0.01μM R08 exp501">
{{:chemogenomics:comparison_plots:exp335_vs_exp501.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Aminopterin 0.005μM R07 exp335  vs  Olaparib 4μM R08 exp512">
{{:chemogenomics:comparison_plots:exp335_vs_exp512.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Aminopterin 0.005μM R07 exp335  vs  TRAIL 5ng/ml R00 exp35">
{{:chemogenomics:comparison_plots:exp335_vs_exp35.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Aminopterin 0.005μM R07 exp335  vs  Thapsigargin 0.005μM R07 exp407">
{{:chemogenomics:comparison_plots:exp335_vs_exp407.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>