Detailed information for compound 173950

Basic information

Technical information
  • TDR Targets ID: 173950
  • Name: 2-[[2-[(5,6-difluoro-1H-benzimidazol-2-yl)-di fluoromethyl]-3-methylbenzimidazole-5-carbony l]amino]-3-phosphonopropanoic acid
  • MW: 529.338 | Formula: C20H16F4N5O6P
  • H donors: 5 H acceptors: 8 LogP: 0.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc2c(c1)n(C)c(n2)C(c1[nH]c2c(n1)cc(c(c2)F)F)(F)F)NC(C(=O)O)CP(=O)(O)O
  • InChi: 1S/C20H16F4N5O6P/c1-29-15-4-8(16(30)25-14(17(31)32)7-36(33,34)35)2-3-11(15)28-19(29)20(23,24)18-26-12-5-9(21)10(22)6-13(12)27-18/h2-6,14H,7H2,1H3,(H,25,30)(H,26,27)(H,31,32)(H2,33,34,35)
  • InChiKey: DHJSFQWAEHBTIR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-[(5,6-difluoro-1H-benzimidazol-2-yl)-difluoro-methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid
  • 2-[[[2-[(5,6-difluoro-1H-benzimidazol-2-yl)-difluoromethyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid
  • 2-[[2-[(5,6-difluoro-1H-benzimidazol-2-yl)-difluoro-methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid
  • 2-[[2-[(5,6-difluoro-1H-benzimidazol-2-yl)-difluoro-methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid
  • AIDS-162643
  • AIDS162643
  • N-({2-[(5,6-Difluoro-1H-benzimidazol-2-yl)(difluoro)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphonoalanine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Hepatitis C virus serine protease, NS3/NS4A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus 60S ribosomal protein L8 Hepatitis C virus serine protease, NS3/NS4A   54 aa 48 aa 33.3 %
Mycobacterium ulcerans Maf-like protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 44 aa 38.6 %
Mycobacterium tuberculosis Membrane-associated phospholipase C 2 PlcB Hepatitis C virus serine protease, NS3/NS4A   54 aa 49 aa 32.7 %
Trypanosoma brucei expression site-associated gene 3 (ESAG3)-like protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 49 aa 28.6 %
Toxoplasma gondii hypothetical protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 50 aa 28.0 %
Schistosoma mansoni hypothetical protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 44 aa 29.5 %
Leishmania braziliensis hypothetical protein, conserved Hepatitis C virus serine protease, NS3/NS4A   54 aa 46 aa 26.1 %
Trypanosoma brucei gambiense expression site-associated gene 3 (ESAG3)-like protein, putative Hepatitis C virus serine protease, NS3/NS4A   54 aa 49 aa 28.6 %
Trypanosoma congolense WD40 repeats, putative Hepatitis C virus serine protease, NS3/NS4A   54 aa 46 aa 28.3 %
Entamoeba histolytica hypothetical protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 52 aa 23.1 %
Schistosoma japonicum expressed protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 44 aa 29.5 %
Trypanosoma brucei hypothetical protein, conserved Hepatitis C virus serine protease, NS3/NS4A   54 aa 55 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tyrosine kinase 0.0961 1 1
Trichomonas vaginalis AGC family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0565 0.2981 0.2981
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0565 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Onchocerca volvulus 0.0961 1 1
Echinococcus multilocularis tensin 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Brugia malayi Variant SH3 domain containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0396 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0961 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Trypanosoma brucei AGC/RSK family serine/threonine kinase, putative 0.0396 0 0.5
Trichomonas vaginalis STE family protein kinase 0.0396 0 0.5
Schistosoma mansoni tyrosine kinase 0.0961 1 1
Schistosoma mansoni tensin-related 0.0565 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus expressed conserved protein 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase shark 0.0961 1 1
Echinococcus granulosus tyrosine kinase 0.0961 1 1
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus granulosus suppressor of cytokine signaling 7 0.0565 0.2981 0.2981
Plasmodium falciparum protein kinase, putative 0.0396 0 0.5
Echinococcus granulosus SH2 domain containing adapter protein F 0.0565 0.2981 0.2981
Plasmodium vivax tyrosine kinase-like protein, putative 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0961 1 1
Entamoeba histolytica SH2 domain containing protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0961 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0961 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0961 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Src42A 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0961 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0565 0.2981 0.2981
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0565 0.2981 0.2981
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) SH2 domain-containing protein 0.0565 0.2981 0.2981
Brugia malayi Variant SH3 domain containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus multilocularis signal transduction protein lnk realted 0.0565 0.2981 0.2981
Toxoplasma gondii protein kinase 0.0396 0 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0961 1 1
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus multilocularis SH2 motif 0.0565 0.2981 0.2981
Giardia lamblia Kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Schistosoma mansoni growth factor receptor-bound protein 0.0565 0.2981 0.2981
Schistosoma mansoni tensin 0.0565 0.2981 0.2981
Loa Loa (eye worm) SH2 domain-containing protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus multilocularis c src tyrosine kinase 0.0961 1 1
Trichomonas vaginalis protein kinase atn1, putative 0.0396 0 0.5
Echinococcus multilocularis SH2 domain containing protein 7 0.0565 0.2981 0.2981
Echinococcus granulosus NCK adaptor protein 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Src64B 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0396 0 0.5
Brugia malayi hypothetical protein 0.0565 0.2981 0.2981
Trichomonas vaginalis br serine/threonine-protein kinase, putative 0.0396 0 0.5
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0565 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Srms 0.0961 1 1
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Schistosoma mansoni hypothetical protein 0.0565 0.2981 0.2981
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0565 0.2981 0.2981
Echinococcus granulosus hypothetical protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) TK protein kinase 0.0961 1 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0565 0.2981 0.2981
Echinococcus granulosus tensin 0.0565 0.2981 0.2981
Brugia malayi STAT protein, DNA binding domain containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0961 1 1
Schistosoma mansoni tyrosine kinase 0.0961 1 1
Onchocerca volvulus 0.0565 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0961 1 1
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0961 1 1
Brugia malayi cytokine inducible SH2-containing protein 5 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis serine-threonine protein kinase, putative 0.0396 0 0.5
Echinococcus granulosus SH2 motif 0.0565 0.2981 0.2981
Leishmania major protein kinase, putative 0.0396 0 0.5
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0961 1 1
Echinococcus multilocularis N chimaerin 0.0565 0.2981 0.2981
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0396 0 0.5
Echinococcus granulosus suppressor of cytokine signaling 6 0.0565 0.2981 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0961 1 1
Brugia malayi RhoGAP domain containing protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0565 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0961 1 1
Brugia malayi Variant SH3 domain containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus multilocularis SHC transforming protein 3 0.0565 0.2981 0.2981
Echinococcus multilocularis NCK adaptor protein 0.0565 0.2981 0.2981
Brugia malayi Variant SH3 domain containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trypanosoma cruzi protein kinase, putative 0.0396 0 0.5
Echinococcus multilocularis tensin 0.0565 0.2981 0.2981
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Lyn 0.0961 1 1
Plasmodium falciparum protein kinase, putative 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni suppressor of cytokine signaling 0.0565 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Toxoplasma gondii protein kinase domain-containing protein 0.0396 0 0.5
Trichomonas vaginalis TK family protein kinase 0.0396 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0565 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0961 1 1
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0565 0.2981 0.2981
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Blk 0.0961 1 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0961 1 1
Echinococcus granulosus N chimaerin 0.0565 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0961 1 1
Echinococcus granulosus SHC transforming protein 3 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus SH2 motif 0.0565 0.2981 0.2981
Schistosoma mansoni tensin 0.0565 0.2981 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0961 1 1
Echinococcus granulosus SH2 domain containing protein 7 0.0565 0.2981 0.2981
Brugia malayi Protein kinase domain containing protein 0.0961 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0961 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0961 1 1
Schistosoma mansoni tyrosine kinase 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni SH2A 0.0565 0.2981 0.2981
Toxoplasma gondii STE kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0396 0 0.5
Onchocerca volvulus 0.0961 1 1
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0565 0.2981 0.2981
Echinococcus granulosus c src tyrosine kinase 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0961 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Giardia lamblia Kinase, NEK 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus tyrosine protein kinase ABL1 0.0961 1 1
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Onchocerca volvulus 0.0565 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Abl 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Onchocerca volvulus 0.0961 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0961 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine kinase 0.0961 1 1
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Trypanosoma cruzi protein kinase, putative 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0961 1 1
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0565 0.2981 0.2981
Onchocerca volvulus 0.0961 1 1
Plasmodium vivax protein kinase, putative 0.0396 0 0.5
Brugia malayi Tensin 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0565 0.2981 0.2981
Echinococcus granulosus signal transduction protein lnk realted 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0565 0.2981 0.2981
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0396 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0961 1 1
Echinococcus multilocularis 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni shc transforming protein 0.0565 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Trypanosoma brucei protein kinase, putative 0.0396 0 0.5
Giardia lamblia Kinase, NEK 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni adapter molecule crk 0.0565 0.2981 0.2981
Schistosoma mansoni hypothetical protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0961 1 1
Loa Loa (eye worm) STAT protein 0.0565 0.2981 0.2981
Onchocerca volvulus 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Giardia lamblia Protein 21.1 0.0396 0 0.5
Leishmania major hypothetical protein, conserved 0.0396 0 0.5
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0565 0.2981 0.2981
Brugia malayi tRNA modification GTPase TrmE family protein 0.0565 0.2981 0.2981
Plasmodium falciparum tyrosine kinase-like protein 0.0396 0 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0565 0.2981 0.2981
Plasmodium falciparum protein kinase, putative 0.0396 0 0.5
Loa Loa (eye worm) SRC-1 0.0961 1 1
Trichomonas vaginalis protein tyrosine kinase, putative 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trypanosoma brucei Flagellum attachment zone protein 20 0.0396 0 0.5
Schistosoma mansoni signal transduction protein lnk-related 0.0565 0.2981 0.2981
Entamoeba histolytica protein kinase, putative 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0565 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Brugia malayi SRC-1 0.0961 1 1
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0565 0.2981 0.2981
Schistosoma mansoni GTPase activating protein 0.0565 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Schistosoma mansoni tensin 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Onchocerca volvulus 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Onchocerca volvulus 0.0565 0.2981 0.2981
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0565 0.2981 0.2981
Brugia malayi Protein kinase domain containing protein 0.0961 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0565 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni nck2/grb4 0.0565 0.2981 0.2981
Leishmania major protein kinase, putative 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Fyn 0.0961 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Onchocerca volvulus 0.0961 1 1
Trypanosoma brucei Pseudokinase, putative 0.0396 0 0.5
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0565 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Echinococcus multilocularis SH2 motif 0.0565 0.2981 0.2981
Onchocerca volvulus 0.0565 0.2981 0.2981
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0396 0 0.5
Echinococcus multilocularis SH2 motif 0.0565 0.2981 0.2981
Schistosoma mansoni tensin-related 0.0565 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0565 0.2981 0.2981
Brugia malayi protein-tyrosine kinase 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni suppressor of cytokine signaling 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0961 1 1
Brugia malayi Protein kinase domain containing protein 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0565 0.2981 0.2981
Onchocerca volvulus 0.0961 1 1
Brugia malayi Sex muscle abnormal protein 5 0.0565 0.2981 0.2981
Loa Loa (eye worm) SH2 domain-containing protein 0.0565 0.2981 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Schistosoma mansoni tyrosine kinase 0.0961 1 1
Schistosoma mansoni vav2 0.0565 0.2981 0.2981
Trichomonas vaginalis serine/threonine-protein kinase wnk, putative 0.0396 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0961 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0565 0.2981 0.2981
Echinococcus granulosus growth factor receptor bound protein 2 0.0565 0.2981 0.2981
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0961 1 1
Brugia malayi hypothetical protein 0.0961 1 1
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0396 0 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0565 0.2981 0.2981

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4 uM Inhibition of HCV serine protease NS3/NS4A in the presence of Zn ChEMBL. 12372517
Ki (binding) = 4 uM Inhibition of HCV serine protease NS3/NS4A in the presence of Zn ChEMBL. 12372517
Ki (binding) = 15 uM Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA. ChEMBL. 12372517
Ki (binding) = 15 uM Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA. ChEMBL. 12372517

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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