Detailed information for compound 1741346

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.808 | Formula: C11H12ClFN2S2
  • H donors: 1 H acceptors: 1 LogP: 4.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(SSc1[nH]c2c(n1)cc(c(c2)Cl)F)C
  • InChi: 1S/C11H12ClFN2S2/c1-3-6(2)16-17-11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6H,3H2,1-2H3,(H,14,15)
  • InChiKey: ICFAURXPWJBIOV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.004 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0085 0.0111
Echinococcus granulosus Smad4 0.0008 0.004 0.0025
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0237 0.1473
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.3389 0.4563
Brugia malayi jmjC domain containing protein 0.0009 0.0072 0.0115
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0707 0.0926
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0707 0.859
Schistosoma mansoni phd/f-box containing protein 0.0009 0.0072 0.0032
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0277 0.6928 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Echinococcus granulosus dna polymerase kappa 0.0037 0.0797 0.0783
Echinococcus multilocularis JmjC domain containing protein 4 0.0009 0.0072 0.0057
Brugia malayi jmjC domain containing protein 0.0009 0.0072 0.0115
Echinococcus granulosus dna polymerase eta 0.0062 0.143 0.1417
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0157 0.1969
Echinococcus multilocularis smad 0.0008 0.004 0.0025
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0756 0.0741
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0067
Echinococcus granulosus bloom syndrome protein 0.0023 0.0435 0.042
Echinococcus granulosus cpg binding protein 0.0029 0.0593 0.0578
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0293 0.0914
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Echinococcus multilocularis lysine specific demethylase 6a 0.0009 0.0072 0.0057
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0893 0.113
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0756 0.0718
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0707 0.8868
Loa Loa (eye worm) hypothetical protein 0.0012 0.0136 0.0341
Leishmania major basic transcription factor 3a, putative 0.0034 0.0707 0.0873
Plasmodium falciparum DNA repair protein REV1, putative 0.0012 0.0136 0.0093
Trypanosoma brucei DNA polymerase kappa, putative 0.0012 0.0136 0.0088
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0113 0.0097
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.1124 0.1447
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0707 0.2381
Brugia malayi AF-10 protein 0.0009 0.0075 0.0125
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0037 0.0797 1
Schistosoma mansoni cpg binding protein 0.0029 0.0593 0.0554
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0362 0.0423
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0085 0.0111
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0037 0.0797 0.2703
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0435 0.5453
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.05 0.0588
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0269
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Trypanosoma brucei hypothetical protein, conserved 0.0012 0.0136 0.0088
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.0797 0.0974
Echinococcus multilocularis jumonji domain containing 1A 0.0009 0.0072 0.0057
Echinococcus multilocularis cpg binding protein 0.0029 0.0593 0.0578
Echinococcus granulosus lysine specific demethylase 6a 0.0009 0.0072 0.0057
Leishmania major DNA polymerase eta, putative 0.0062 0.143 0.1868
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0119 0.0068
Echinococcus multilocularis peregrin 0.0028 0.0563 0.0548
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Loa Loa (eye worm) RecQ helicase 0.0023 0.0435 0.1408
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.3389 0.4563
Mycobacterium ulcerans hypothetical protein 0.0154 0.379 0.5381
Entamoeba histolytica hypothetical protein 0.0034 0.0707 0.859
Echinococcus multilocularis dna polymerase eta 0.0062 0.143 0.1417
Onchocerca volvulus Alhambra homolog 0.0028 0.0563 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0715 0.0701
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.143 0.1868
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0563 0.4388
Echinococcus granulosus phd:f box containing protein 0.0009 0.0072 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Brugia malayi PHD-finger family protein 0.0011 0.0116 0.0273
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0756 0.2555
Brugia malayi jmjC domain containing protein 0.0009 0.0072 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0707 0.8868
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0277 0.6928 1
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0707 0.0873
Loa Loa (eye worm) hypothetical protein 0.001 0.0085 0.0158
Loa Loa (eye worm) hypothetical protein 0.0028 0.0563 0.1865
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0252 0.0213
Toxoplasma gondii PHD-finger domain-containing protein 0.0009 0.0075 0.0026
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0085 0.016
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0085 0.0069
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0085 0.0069
Leishmania major DNA polymerase kappa, putative 0.0012 0.0136 0.0088
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0037 0.0797 0.0783
Giardia lamblia DINP protein human, muc B family 0.0037 0.0797 1
Trypanosoma brucei unspecified product 0.0026 0.05 0.0588
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0277 0.6928 0.5
Schistosoma mansoni transcription factor btf3 0.0034 0.0707 0.0669
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0563 0.0548
Schistosoma mansoni DNA polymerase IV / kappa 0.0012 0.0136 0.0096
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0563 0.4388
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0085 0.0069
Echinococcus multilocularis phd:f box containing protein 0.0009 0.0072 0.0057
Brugia malayi jmjC domain containing protein 0.0036 0.0756 0.2588
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0037 0.0797 0.076
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0009 0.0075 0.0004
Trypanosoma brucei hypothetical protein, conserved 0.0012 0.0136 0.0088
Schistosoma mansoni DNA polymerase eta 0.0062 0.143 0.1395
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0136 0.0088
Trichomonas vaginalis DNA polymerase eta, putative 0.0037 0.0797 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0012 0.0136 0.0571
Schistosoma mansoni cpg binding protein 0.0028 0.0552 0.0513
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0242 0.0247
Schistosoma mansoni cpg binding protein 0.0029 0.0593 0.0554
Loa Loa (eye worm) hypothetical protein 0.0049 0.108 0.3713
Brugia malayi PHD-finger family protein 0.0028 0.0563 0.1889
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0756 0.0718
Giardia lamblia DNA damage repair protein 0.0012 0.0136 0.0722
Brugia malayi beta-NAC-like protein 0.0034 0.0707 0.2412
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0893 0.113
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0085 0.0069
Schistosoma mansoni hypothetical protein 0.0028 0.0563 0.0524
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.379 0.4883
Schistosoma mansoni DNA helicase recq1 0.001 0.0085 0.0044
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0707 0.0873
Loa Loa (eye worm) jmjC domain-containing protein 0.0009 0.0072 0.0113
Loa Loa (eye worm) jmjC domain-containing protein 0.0009 0.0072 0.0113
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Schistosoma mansoni protein phosphatase 2C 0.0009 0.0072 0.0032
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.0797 0.0974
Trypanosoma brucei DNA polymerase kappa, putative 0.0012 0.0136 0.0088
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0157 0.0117
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0009 0.0072 0.0032
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1723 0.1689
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0113 0.0097
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0563 0.0548
Plasmodium falciparum phd finger protein, putative 0.0028 0.0563 0.0715
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0113
Schistosoma mansoni DNA helicase recq5 0.001 0.0085 0.0044
Loa Loa (eye worm) jmjC domain-containing protein 0.0009 0.0072 0.0113
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0009 0.0075 0.0026
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0797 0.0997
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Trypanosoma brucei unspecified product 0.0026 0.05 0.0588
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0707 0.8868
Trypanosoma brucei DNA damage repair protein, putative 0.0012 0.0136 0.0088
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2804 0.9871
Loa Loa (eye worm) hypothetical protein 0.0117 0.284 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0157 0.0117
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0435 0.042
Echinococcus granulosus JmjC domain containing protein 4 0.0009 0.0072 0.0057
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0277 0.6928 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.143 0.1868
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0085 0.0018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0707 0.0873
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0037 0.0797 0.0997
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.7341 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.119 1
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0846 0.0832
Leishmania major DNA polymerase eta, putative 0.0036 0.0769 0.0958
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.7341 1
Brugia malayi jmjC domain containing protein 0.0093 0.2211 0.7852
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0707 0.0926
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1334 0.462
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0846 0.0832
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0037 0.0797 0.0783
Plasmodium vivax DNA repair protein REV1, putative 0.0012 0.0136 0.0093
Loa Loa (eye worm) hypothetical protein 0.0062 0.143 0.4963
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0136 0.0088
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0769 0.0958
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0563 0.0524
Trypanosoma cruzi DNA damage repair protein, putative 0.0012 0.0136 0.0088
Treponema pallidum hypothetical protein 0.0277 0.6928 0.5
Schistosoma mansoni hypothetical protein 0.0397 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0037 0.0797 1
Brugia malayi polk-prov protein 0.0012 0.0136 0.0346
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.7341 1
Echinococcus granulosus jumonji domain containing 1A 0.0009 0.0072 0.0057
Brugia malayi jmjC domain containing protein 0.0009 0.0072 0.0115
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.3389 0.4563
Trypanosoma cruzi DNA damage repair protein, putative 0.0012 0.0136 0.0088
Echinococcus granulosus peregrin 0.0028 0.0563 0.0548
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.05 0.0588
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0277 0.6928 1
Echinococcus granulosus transcription factor btf3 0.0034 0.0707 0.0692
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.004 0.0025
Schistosoma mansoni jumonji domain containing protein 0.0009 0.0072 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.05 0.0588
Echinococcus granulosus smad 0.0008 0.004 0.0025
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Leishmania major DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Brugia malayi Bromodomain containing protein 0.0028 0.0563 0.1889
Trypanosoma brucei DNA damage repair protein, putative 0.0012 0.0136 0.0088
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1352 0.1317
Echinococcus multilocularis transcription factor btf3 0.0034 0.0707 0.0692
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0552 0.1826
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.143 0.5028
Giardia lamblia PHD finger protein 15 0.0028 0.0563 0.6708
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0011 0.0119 0.0068
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0769 0.6232
Brugia malayi CXXC zinc finger family protein 0.0028 0.0552 0.185
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.004 0.0025
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.004 0.0025
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0707 0.5678
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0085 0.016
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0009 0.0075 0.0004
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0893 0.113
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2211 0.2198
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.0797 0.2738
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0797 0.0997
Trypanosoma brucei chrX additional, unordered contigs 0.0012 0.0136 0.0088
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0012 0.0136 0.0571
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2804 0.9871
Schistosoma mansoni hypothetical protein 0.0009 0.0075 0.0035
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Echinococcus multilocularis Smad4 0.0008 0.004 0.0025
Toxoplasma gondii hypothetical protein 0.0047 0.1049 0.8734
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2211 0.2198
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0893 0.113
Brugia malayi MH2 domain containing protein 0.0116 0.2804 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0309 0.027
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0113
Echinococcus multilocularis dna polymerase kappa 0.0037 0.0797 0.0783
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0157 0.0117
Echinococcus multilocularis dnaJ subfamily B 0.0397 1 1
Leishmania major DNA damage repair protein, putative 0.0012 0.0136 0.0088
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0085 0.0158
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0435 0.1427
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0435 0.5453
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0563 0.0715
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.00000000010151 0.0000000012733
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.7341 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0797 0.0997
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0797 0.0997
Schistosoma mansoni phosphatidylserine receptor 0.0009 0.0072 0.0032
Schistosoma mansoni terminal deoxycytidyl transferase 0.0037 0.0797 0.076
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0563 0.1865
Trypanosoma brucei unspecified product 0.0037 0.0797 0.0997

Activities

Activity type Activity value Assay description Source Reference
Ratio (binding) = 0.24 /uM/min Inhibition of wild type human thioredoxin ChEMBL. 23327656

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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