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| results:exp434 [2025/10/22 21:28] – tyersadmin | results:exp434 [2026/01/15 21:36] (current) – external edit 127.0.0.1 |
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| <accordion collapsed='true'> | <accordion collapsed='true'> |
| <panel title='Compound References' collapsed='true'> | <panel title='Compound References' collapsed='true'> |
| ***<color #00a2e8>PubChem Name:</color>** %%Vemurafenib%% | * **<color #00a2e8>PubChem Name:</color>** %%Vemurafenib%% |
| ***<color #00a2e8>Synonyms:</color>** PLX4032; RG7204; RO5185426 | * **<color #00a2e8>Synonyms:</color>** PLX4032; RG7204; RO5185426 |
| ***<color #00a2e8>CAS #:</color>** 918504-65-1 | * **<color #00a2e8>CAS #:</color>** 918504-65-1 |
| ***<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/42611257|42611257]] | * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/42611257|42611257]] |
| * **<color #00a2e8>IUPAC:</color>** %%N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide%% | * **<color #00a2e8>IUPAC:</color>** %%N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide%% |
| ***<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) |
| ***<color #00a2e8>INCHI Key:</color>** GPXBXXGIAQBQNI-UHFFFAOYSA-N | * **<color #00a2e8>INCHI Key:</color>** GPXBXXGIAQBQNI-UHFFFAOYSA-N |
| ***<color #00a2e8>Molecular Weight:</color>** 489.9 | * **<color #00a2e8>Molecular Weight:</color>** 489.9 |
| ***<color #00a2e8>Canonical SMILES:</color>** CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F | * **<color #00a2e8>Canonical SMILES:</color>** CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F |
| ***<color #00a2e8>Isomeric SMILES:</color>** NA | * **<color #00a2e8>Isomeric SMILES:</color>** N/A |
| ***<color #00a2e8>Molecular Formula:</color>** C23H18ClF2N3O3S | * **<color #00a2e8>Molecular Formula:</color>** C23H18ClF2N3O3S |
| {{:chemogenomics:structures:chem-0065.svg?nolink}} | {{:chemogenomics:structures:chem-0065.svg?nolink}} |
| |
| </panel> | </panel> |
| |
| </panel> | </panel> |
| </accordion> | </accordion> |
| ==== Screen Results ==== | ==== Screen Summary ==== |
| * **<color #00a2e8>Round</color>**: 08 | * **<color #00a2e8>Round</color>**: 08 |
| * **<color #00a2e8>Dose</color>**: 6.6µM | * **<color #00a2e8>Dose</color>**: 6.6µM |
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| ==== Screen Summary ==== | ==== Screen Results ==== |
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| ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ | ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ |
| |111/105|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Vemurafenib_6.6uM_Round-8_exp434.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="primary" size="sm" modal="modal_go_resistant">View</button>| | |111/105|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Vemurafenib_6.6uM_Round-8_exp434.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='Vemurafenib 6.6μM_R08_exp434'> | <modal id='ScorePlot' size='lg' title='Vemurafenib 6.6μM R08 exp434'> |
| {{:chemogenomics:cranks_plots:exp434.png?nolink}} | {{:chemogenomics:cranks_plots:exp434.png?nolink}} |
| </modal> | </modal> |
| <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> | <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> |
| ^Gene^CRANKS Score^FDR^ | ^Gene^CRANKS Score^FDR^ |
| |[[human_genes:G:GPR107|GPR107]]|-5.73|0.00| | |[[:human_genes:G:GPR107|GPR107]]|-5.73|0.00| |
| |[[human_genes:S:SLC39A9|SLC39A9]]|-5.44|0.00| | |[[:human_genes:S:SLC39A9|SLC39A9]]|-5.44|0.00| |
| |[[human_genes:A:APBA3|APBA3]]|-4.69|0.00| | |[[:human_genes:A:APBA3|APBA3]]|-4.69|0.00| |
| |[[human_genes:A:ACBD3|ACBD3]]|-4.58|0.00| | |[[:human_genes:A:ACBD3|ACBD3]]|-4.58|0.00| |
| |[[human_genes:A:ARL5B|ARL5B]]|-4.57|0.00| | |[[:human_genes:A:ARL5B|ARL5B]]|-4.57|0.00| |
| |[[human_genes:T:TBC1D23|TBC1D23]]|-4.55|0.00| | |[[:human_genes:T:TBC1D23|TBC1D23]]|-4.55|0.00| |
| |[[human_genes:T:TM9SF3|TM9SF3]]|-4.35|0.00| | |[[:human_genes:T:TM9SF3|TM9SF3]]|-4.35|0.00| |
| |[[human_genes:C:CHKA|CHKA]]|-4.33|0.00| | |[[:human_genes:C:CHKA|CHKA]]|-4.33|0.00| |
| |[[human_genes:A:ARL1|ARL1]]|-4.14|0.00| | |[[:human_genes:A:ARL1|ARL1]]|-4.14|0.00| |
| |[[human_genes:V:VKORC1L1|VKORC1L1]]|-4.13|0.00| | |[[:human_genes:V:VKORC1L1|VKORC1L1]]|-4.13|0.00| |
| |[[human_genes:L:LDLR|LDLR]]|-3.96|0.00| | |[[:human_genes:L:LDLR|LDLR]]|-3.96|0.00| |
| |[[human_genes:U:UGCG|UGCG]]|-3.65|0.00| | |[[:human_genes:U:UGCG|UGCG]]|-3.65|0.00| |
| |[[human_genes:S:SPTLC1|SPTLC1]]|-3.62|0.00| | |[[:human_genes:S:SPTLC1|SPTLC1]]|-3.62|0.00| |
| |[[human_genes:R:RALGAPB|RALGAPB]]|-3.54|0.00| | |[[:human_genes:R:RALGAPB|RALGAPB]]|-3.54|0.00| |
| |[[human_genes:M:MON2|MON2]]|-3.53|0.00| | |[[:human_genes:M:MON2|MON2]]|-3.53|0.00| |
| |[[human_genes:N:NRAS|NRAS]]|-3.41|0.00| | |[[:human_genes:N:NRAS|NRAS]]|-3.41|0.00| |
| |[[human_genes:C:C12orf23|C12orf23]]|-3.41|0.00| | |[[:human_genes:C:C12orf23|C12orf23]]|-3.41|0.00| |
| |[[human_genes:T:TBC1D22B|TBC1D22B]]|-3.37|0.00| | |[[:human_genes:T:TBC1D22B|TBC1D22B]]|-3.37|0.00| |
| |[[human_genes:M:METAP1|METAP1]]|-3.36|0.00| | |[[:human_genes:M:METAP1|METAP1]]|-3.36|0.00| |
| |[[human_genes:B:BRD1|BRD1]]|-3.33|0.00| | |[[:human_genes:B:BRD1|BRD1]]|-3.33|0.00| |
| |[[human_genes:K:KDSR|KDSR]]|-3.33|0.00| | |[[:human_genes:K:KDSR|KDSR]]|-3.33|0.00| |
| |[[human_genes:M:MMD|MMD]]|-3.31|0.00| | |[[:human_genes:M:MMD|MMD]]|-3.31|0.00| |
| |[[human_genes:M:MS4A13|MS4A13]]|-3.28|0.07| | |[[:human_genes:M:MS4A13|MS4A13]]|-3.28|0.07| |
| |[[human_genes:C:COPB2|COPB2]]|-3.25|<0.01| | |[[:human_genes:C:COPB2|COPB2]]|-3.25|<0.01| |
| |[[human_genes:H:HMGB2|HMGB2]]|-3.20|0.00| | |[[:human_genes:H:HMGB2|HMGB2]]|-3.20|0.00| |
| |[[human_genes:I:IGLL1|IGLL1]]|-3.17|0.00| | |[[:human_genes:I:IGLL1|IGLL1]]|-3.17|0.00| |
| |[[human_genes:Y:YIPF5|YIPF5]]|-3.17|0.00| | |[[:human_genes:Y:YIPF5|YIPF5]]|-3.17|0.00| |
| |[[human_genes:I:IER3IP1|IER3IP1]]|-3.16|0.00| | |[[:human_genes:I:IER3IP1|IER3IP1]]|-3.16|0.00| |
| |[[human_genes:S:SCAP|SCAP]]|-3.09|0.00| | |[[:human_genes:S:SCAP|SCAP]]|-3.09|0.00| |
| |[[human_genes:A:ARL5A|ARL5A]]|-3.08|0.00| | |[[:human_genes:A:ARL5A|ARL5A]]|-3.08|0.00| |
| |[[human_genes:B:BRAP|BRAP]]|2.94|<0.01| | |[[:human_genes:B:BRAP|BRAP]]|2.94|<0.01| |
| |[[human_genes:A:ATP8B2|ATP8B2]]|2.94|<0.01| | |[[:human_genes:A:ATP8B2|ATP8B2]]|2.94|<0.01| |
| |[[human_genes:H:HEATR5B|HEATR5B]]|3.05|0.00| | |[[:human_genes:H:HEATR5B|HEATR5B]]|3.05|0.00| |
| |[[human_genes:T:TNPO1|TNPO1]]|3.05|<0.01| | |[[:human_genes:T:TNPO1|TNPO1]]|3.05|<0.01| |
| |[[human_genes:D:DAZAP1|DAZAP1]]|3.07|0.00| | |[[:human_genes:D:DAZAP1|DAZAP1]]|3.07|0.00| |
| |[[human_genes:I:INSIG1|INSIG1]]|3.08|<0.01| | |[[:human_genes:I:INSIG1|INSIG1]]|3.08|<0.01| |
| |[[human_genes:W:WIBG|WIBG]]|3.13|<0.01| | |[[:human_genes:W:WIBG|WIBG]]|3.13|<0.01| |
| |[[human_genes:Z:ZBTB7A|ZBTB7A]]|3.14|0.00| | |[[:human_genes:Z:ZBTB7A|ZBTB7A]]|3.14|0.00| |
| |[[human_genes:T:TSC2|TSC2]]|3.16|0.00| | |[[:human_genes:T:TSC2|TSC2]]|3.16|0.00| |
| |[[human_genes:R:RQCD1|RQCD1]]|3.18|0.00| | |[[:human_genes:R:RQCD1|RQCD1]]|3.18|0.00| |
| |[[human_genes:S:SEC24C|SEC24C]]|3.25|0.00| | |[[:human_genes:S:SEC24C|SEC24C]]|3.25|0.00| |
| |[[human_genes:T:TVP23C-CDRT4|TVP23C-CDRT4]]|3.32|<0.01| | |[[:human_genes:T:TVP23C-CDRT4|TVP23C-CDRT4]]|3.32|<0.01| |
| |[[human_genes:M:MBOAT7|MBOAT7]]|3.34|0.00| | |[[:human_genes:M:MBOAT7|MBOAT7]]|3.34|0.00| |
| |[[human_genes:N:NUDT5|NUDT5]]|3.36|0.00| | |[[:human_genes:N:NUDT5|NUDT5]]|3.36|0.00| |
| |[[human_genes:Y:YIPF6|YIPF6]]|3.48|0.00| | |[[:human_genes:Y:YIPF6|YIPF6]]|3.48|0.00| |
| |[[human_genes:A:ABCG1|ABCG1]]|3.51|0.00| | |[[:human_genes:A:ABCG1|ABCG1]]|3.51|0.00| |
| |[[human_genes:R:RBM38|RBM38]]|3.67|0.00| | |[[:human_genes:R:RBM38|RBM38]]|3.67|0.00| |
| |[[human_genes:C:CHP1|CHP1]]|3.80|0.00| | |[[:human_genes:C:CHP1|CHP1]]|3.80|0.00| |
| |[[human_genes:F:FKBPL|FKBPL]]|3.80|0.00| | |[[:human_genes:F:FKBPL|FKBPL]]|3.80|0.00| |
| |[[human_genes:C:CARM1|CARM1]]|4.20|0.00| | |[[:human_genes:C:CARM1|CARM1]]|4.20|0.00| |
| |[[human_genes:S:SH3BP5L|SH3BP5L]]|4.23|0.00| | |[[:human_genes:S:SH3BP5L|SH3BP5L]]|4.23|0.00| |
| |[[human_genes:M:MBD2|MBD2]]|4.39|0.00| | |[[:human_genes:M:MBD2|MBD2]]|4.39|0.00| |
| |[[human_genes:T:TMEM30A|TMEM30A]]|4.45|0.00| | |[[:human_genes:T:TMEM30A|TMEM30A]]|4.45|0.00| |
| |[[human_genes:E:ELF1|ELF1]]|4.46|0.00| | |[[:human_genes:E:ELF1|ELF1]]|4.46|0.00| |
| |[[human_genes:K:KIAA2013|KIAA2013]]|4.53|0.00| | |[[:human_genes:K:KIAA2013|KIAA2013]]|4.53|0.00| |
| |[[human_genes:T:TRAPPC9|TRAPPC9]]|4.95|0.00| | |[[:human_genes:T:TRAPPC9|TRAPPC9]]|4.95|0.00| |
| |[[human_genes:T:TM9SF2|TM9SF2]]|5.18|0.00| | |[[:human_genes:T:TM9SF2|TM9SF2]]|5.18|0.00| |
| |[[human_genes:T:TRAPPC10|TRAPPC10]]|5.57|0.00| | |[[:human_genes:T:TRAPPC10|TRAPPC10]]|5.57|0.00| |
| |[[human_genes:R:RAB11A|RAB11A]]|6.49|0.00| | |[[:human_genes:R:RAB11A|RAB11A]]|6.49|0.00| |
| |[[human_genes:P:PITPNB|PITPNB]]|8.00|0.00| | |[[:human_genes:P:PITPNB|PITPNB]]|8.00|0.00| |
| </modal> | </modal> |
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| <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms"> | <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal> |
| ^GO Term^Fold Change^Genes^ | |
| |regulation of fat cell apoptotic process|613.67|SPTLC1| | |
| |non-sequence-specific DNA binding, bending|613.67|HMGB2| | |
| |clathrin heavy chain binding|136.37|GPR107,LDLR| | |
| |intestinal lipid absorption|94.41|LDLR,UGCG| | |
| |sphingoid metabolic process|61.37|SPTLC1,KDSR| | |
| |positive regulation of erythrocyte differentiation|42.32|BRD1,HMGB2| | |
| |protein localization to Golgi apparatus|42.32|ARL5B,ARL1| | |
| |intestinal absorption|39.59|LDLR,UGCG| | |
| |regulation of cholesterol metabolic process|36.10|LDLR,SCAP| | |
| |COPII-coated ER to Golgi transport vesicle|20.69|YIPF5,IER3IP1,SCAP| | |
| |endoplasmic reticulum to Golgi vesicle-mediated transport|19.64|COPB2,YIPF5,IER3IP1,SCAP| | |
| |sphingolipid biosynthetic process|18.23|UGCG,SPTLC1,KDSR| | |
| |regulation of endothelial cell proliferation|13.74|SLC39A9,NRAS,HMGB2| | |
| |membrane lipid biosynthetic process|13.15|UGCG,SPTLC1,KDSR| | |
| |trans-Golgi network|12.27|SLC39A9,ARL5B,TBC1D23,ARL1,YIPF5| | |
| |coated vesicle|12.19|GPR107,LDLR,COPB2,YIPF5,IER3IP1,SCAP| | |
| |Golgi vesicle transport|11.16|MON2,COPB2,YIPF5,IER3IP1,SCAP| | |
| |Golgi apparatus subcompartment|8.43|SLC39A9,ARL5B,TBC1D23,ARL1,YIPF5| | |
| |Golgi membrane|5.61|ACBD3,ARL1,UGCG,NRAS,COPB2,SCAP| | |
| </modal> | |
| <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms"> | <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms"> |
| ^GO Term^Fold Change^Genes^ | ^GO Term^Fold Change^Genes^ |
| |phosphatidylcholine floppase activity|157.80|ABCG1,ATP8B2| | |
| |TRAPPII protein complex|122.73|TRAPPC10,TRAPPC9| | |
| |phosphatidylcholine transporter activity|97.46|PITPNB,ABCG1,ATP8B2| | |
| |TRAPP complex|78.90|TRAPPC10,TRAPPC9| | |
| |flippase activity|73.64|TMEM30A,ATP8B2| | |
| |floppase activity|73.64|ABCG1,ATP8B2| | |
| |ATPase-coupled intramembrane lipid transporter activity|63.73|TMEM30A,ABCG1,ATP8B2| | |
| |intramembrane lipid transporter activity|40.41|TMEM30A,ABCG1,ATP8B2| | |
| |phospholipid transporter activity|36.22|PITPNB,TMEM30A,ABCG1,ATP8B2| | |phospholipid transporter activity|36.22|PITPNB,TMEM30A,ABCG1,ATP8B2| |
| |lipid translocation|30.68|TMEM30A,ABCG1,ATP8B2| | |
| |regulation of membrane lipid distribution|27.16|TMEM30A,ABCG1,ATP8B2| | |
| |regulation of intracellular steroid hormone receptor signaling pathway|24.01|CARM1,CNOT9,ZBTB7A| | |
| |phospholipid transport|23.01|PITPNB,TMEM30A,ABCG1,ATP8B2| | |
| |vesicle budding from membrane|22.39|TRAPPC10,TRAPPC9,SEC24C| | |
| |endoplasmic reticulum to Golgi vesicle-mediated transport|17.67|TRAPPC10,TRAPPC9,YIPF6,SEC24C| | |
| |organophosphate ester transport|15.13|PITPNB,TMEM30A,ABCG1,ATP8B2| | |
| |lipid transporter activity|13.15|PITPNB,TMEM30A,ABCG1,ATP8B2| | |
| |Golgi vesicle transport|10.04|PITPNB,TRAPPC10,TRAPPC9,YIPF6,SEC24C| | |
| |membrane organization|6.07|PITPNB,TRAPPC10,TRAPPC9,TMEM30A,CHP1,ABCG1,SEC24C,ATP8B2| | |
| </modal> | </modal> |
| |