Detailed information for compound 52718

Basic information

Technical information
  • TDR Targets ID: 52718
  • Name: diethyl 2-[4-(8-hydroxy-7,8-dihydro-4H-imidaz o[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trif luoromethyl)phenyl]methyl]propanedioate
  • MW: 524.533 | Formula: C25H31F3N4O5
  • H donors: 2 H acceptors: 4 LogP: 3.34 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)C(C(=O)OCC)(Cc1ccccc1C(F)(F)F)CCCCn1cnc2c1NC=NCC2O
  • InChi: 1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)
  • InChiKey: JCFLAQSWFIJKIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioic acid diethyl ester
  • 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[2-(trifluoromethyl)benzyl]malonic acid diethyl ester
  • diethyl 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[5,4-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioate
  • 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[5,4-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioic acid diethyl ester
  • 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[5,4-d][1,3]diazepin-3-yl)butyl]-2-[2-(trifluoromethyl)benzyl]malonic acid diethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Adenosine deaminase Starlite/ChEMBL References
Homo sapiens adenosine monophosphate deaminase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense adenosine monophosphate deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma cruzi adenosine monophosphate deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium berghei adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium berghei AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium knowlesi AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Candida albicans Adenosine/AMP deaminase similar to S. cerevisiae AMD1 (YML035C) involved in purine nucleotide metabolism Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma brucei adenosine monophosphate deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium yoelii AMP deaminase homolog Get druggable targets OG5_126856 All targets in OG5_126856
Brugia malayi Adenosine/AMP deaminase family protein Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania mexicana AMP deaminase, putative,amp deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Echinococcus multilocularis adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania infantum AMP deaminase, putative,amp deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma congolense AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Schistosoma japonicum AMP deaminase 2, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma brucei gambiense AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Loa Loa (eye worm) AMP deaminase Get druggable targets OG5_126856 All targets in OG5_126856
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma brucei gambiense AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Neospora caninum adenosine/AMP deaminase domain containing protein, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania mexicana AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma cruzi AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium vivax adenosine/AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania major AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Schistosoma mansoni adenosine deaminase-related Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania donovani AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium knowlesi adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania major adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma congolense adenosine monophosphate deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania donovani adenosine monophosphate deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma brucei AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania donovani AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania braziliensis adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma brucei gambiense adenosine monophosphate deaminase, putative,AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Echinococcus granulosus adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans Adenosine/AMP deaminase similar to S. cerevisiae AMD1 (YML035C) involved in purine nucleotide metabolism Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma cruzi AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Mycobacterium ulcerans adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium yoelii adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma cruzi AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania mexicana adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma brucei AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma congolense AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma brucei AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Entamoeba histolytica AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania mexicana adenosine monophosphate deaminase, putative,AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania braziliensis AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania braziliensis AMP deaminase, putative,adenosine monophosphate deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania major AMP deaminase, putative,amp deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium falciparum AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma cruzi AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Trypanosoma cruzi AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium falciparum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania infantum AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Toxoplasma gondii AMP deaminase Get druggable targets OG5_126856 All targets in OG5_126856
Brugia malayi adenosine monophosphate deaminase Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania infantum adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus granulosus AMP deaminase 2 Get druggable targets OG5_126856 All targets in OG5_126856
Schistosoma japonicum ko:K01490 AMP deaminase [EC3.5.4.6], putative Get druggable targets OG5_126856 All targets in OG5_126856
Schistosoma mansoni AMP deaminase Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania infantum adenosine monophosphate deaminase, putative,AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania mexicana AMP deaminase, putative,adenosine monophosphate deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus multilocularis AMP deaminase 2 Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania braziliensis adenosine monophosphate deaminase, putative,AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Entamoeba histolytica AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania donovani AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Treponema pallidum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Babesia bovis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Cryptosporidium hominis AMP deaminase Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania infantum AMP deaminase, putative,adenosine monophosphate deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania donovani adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Neospora caninum adenosine monophosphate deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Leishmania braziliensis AMP deaminase, putative,amp deaminase-like protein Get druggable targets OG5_126856 All targets in OG5_126856
Neospora caninum Adenosine deaminase (EC 3.5.4.4), related Get druggable targets OG5_127245 All targets in OG5_127245
Onchocerca volvulus Adenosine deaminase homolog Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Trypanosoma brucei gambiense AMP deaminase, putative Get druggable targets OG5_126856 All targets in OG5_126856
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Cryptosporidium parvum adenosine monophosphate deaminase 2 Get druggable targets OG5_126856 All targets in OG5_126856
Plasmodium vivax adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Onchocerca volvulus AMP deaminase 2 homolog Get druggable targets OG5_126856 All targets in OG5_126856
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum adenosine deaminase-related growth factor Adenosine deaminase   363 aa 299 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni biogenic amine receptor 0.0244 0.2866 0.2722
Echinococcus granulosus allatostatin A receptor 0.0244 0.2866 0.2903
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0103 0.0543 0.0376
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Onchocerca volvulus 0.0244 0.2866 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0244 0.2866 0.2722
Schistosoma mansoni neuropeptide receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis g protein coupled receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Onchocerca volvulus 0.0244 0.2866 1
Onchocerca volvulus Adenosine deaminase homolog 0.0137 0.1113 0.3433
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Onchocerca volvulus 0.0244 0.2866 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0244 0.2866 0.3052
Schistosoma mansoni neuropeptide F-like receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis neuropeptides capa receptor 0.0244 0.2866 0.2903
Schistosoma mansoni adenosine deaminase-related 0.0137 0.1113 0.0935
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.062 0.9062 0.9649
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0123 0.0869 0.0686
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0244 0.2866 0.2903
Brugia malayi G protein-coupled receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0244 0.2866 0.2903
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0244 0.2866 0.2903
Echinococcus granulosus tm gpcr rhodopsin 0.0244 0.2866 0.2903
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.062 0.9062 0.9642
Schistosoma mansoni opsin-like receptor 0.0244 0.2866 0.2722
Brugia malayi Serotonin receptor 0.0244 0.2866 0.2903
Echinococcus granulosus g-protein coupled receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hyaluronidase 0.064 0.9391 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Mycobacterium ulcerans adenosine deaminase 0.0137 0.1113 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0244 0.2866 0.2903
Echinococcus granulosus neuropeptide receptor 0.0244 0.2866 0.2903
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0244 0.2866 0.2903
Brugia malayi Adenosine/AMP deaminase family protein 0.0137 0.1113 0.0996
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.062 0.9062 0.9642
Schistosoma mansoni amine GPCR 0.0244 0.2866 0.2722
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0244 0.2866 0.2903
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0129 0.0966 0.8391
Schistosoma mansoni histamine h1 receptor 0.0244 0.2866 0.2722
Loa Loa (eye worm) neuropeptide F receptor 0.0244 0.2866 0.3052
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Schistosoma mansoni neuropeptide F-like receptor 0.0244 0.2866 0.2722
Schistosoma mansoni adenoreceptor 0.0244 0.2866 0.2722
Schistosoma mansoni adenosine deaminase 0.0137 0.1113 0.0935
Schistosoma mansoni voltage-gated potassium channel 0.0123 0.0869 0.0686
Onchocerca volvulus 0.0244 0.2866 1
Trichomonas vaginalis adenosine deaminase, putative 0.0137 0.1113 0.1118
Loa Loa (eye worm) norepinephrine transporter 0.0103 0.0543 0.0578
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Plasmodium vivax adenosine/AMP deaminase, putative 0.0129 0.0966 0.8391
Trichomonas vaginalis adenosine deaminase, putative 0.0137 0.1113 0.1118
Schistosoma mansoni amine GPCR 0.0244 0.2866 0.2722
Brugia malayi G protein-coupled receptor F59B2.13 0.0244 0.2866 0.2903
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Schistosoma mansoni neuropeptide receptor 0.0244 0.2866 0.2722
Schistosoma mansoni biogenic amine receptor 0.0244 0.2866 0.2722
Brugia malayi neuropeptide F receptor 0.0244 0.2866 0.2903
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0244 0.2866 0.2722
Schistosoma mansoni biogenic amine receptor 0.0244 0.2866 0.2722
Brugia malayi Serotonin receptor 0.0244 0.2866 0.2903
Schistosoma mansoni 60S ribosomal protein L21 0.0098 0.0458 0.0267
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0123 0.0869 0.0731
Schistosoma mansoni alpha-1 adrenergic receptor 0.0244 0.2866 0.2722
Echinococcus granulosus dro:myosuppressin receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus biogenic amine 5HT receptor 0.0244 0.2866 0.2903
Brugia malayi Dopamine receptor 0.0244 0.2866 0.2903
Entamoeba histolytica adenosine deaminase, putative 0.0137 0.1113 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0137 0.1113 1
Loa Loa (eye worm) neuropeptide F receptor 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Trypanosoma cruzi AMP deaminase, putative 0.0129 0.0966 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0244 0.2866 0.2903
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0082 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0538 0.7713 0.8213
Plasmodium falciparum AMP deaminase, putative 0.0129 0.0966 0.8391
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus multilocularis G protein coupled receptor 139 0.0244 0.2866 0.2903
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0123 0.0869 0.0925
Echinococcus granulosus neuropeptide Y receptor 0.0244 0.2866 0.2903
Brugia malayi G-protein coupled receptor 0.0244 0.2866 0.2903
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0137 0.1113 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0244 0.2866 0.2722
Onchocerca volvulus 0.0244 0.2866 1
Loa Loa (eye worm) serotonin transporter b 0.0103 0.0543 0.0578
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0579 0.839 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0103 0.0543 0.0578
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0123 0.0869 0.0731
Trypanosoma brucei AMP deaminase, putative 0.0129 0.0966 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Brugia malayi G-protein coupled receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0244 0.2866 0.2903
Trypanosoma cruzi AMP deaminase, putative 0.0129 0.0966 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus serotonin transporter 0.0103 0.0543 0.0376
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0103 0.0543 0.0578
Echinococcus granulosus G protein coupled receptor 139 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0082 0.0197 0.021
Brugia malayi Cyclic-nucleotide gated cation channel 0.0123 0.0869 0.0731
Onchocerca volvulus 0.0244 0.2866 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis AMP deaminase 2 0.0129 0.0966 0.0836
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.0458 0.0267
Echinococcus granulosus serotonin receptor 0.0244 0.2866 0.2903
Trypanosoma cruzi AMP deaminase, putative 0.0129 0.0966 1
Echinococcus multilocularis neuropeptide Y receptor 0.0244 0.2866 0.2903
Onchocerca volvulus 0.0244 0.2866 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0103 0.0543 0.0353
Echinococcus granulosus 7tm_1 domain containing protein 0.0244 0.2866 0.2903
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0244 0.2866 0.2903
Echinococcus granulosus neuropeptide receptor A26 0.0244 0.2866 0.2903
Trypanosoma brucei AMP deaminase, putative 0.0129 0.0966 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0244 0.2866 0.2722
Onchocerca volvulus 0.0244 0.2866 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0123 0.0869 0.0925
Entamoeba histolytica adenosine deaminase, putative 0.0137 0.1113 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis g protein coupled receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus peptide allatostatin:somatostatin 0.0244 0.2866 0.2903
Onchocerca volvulus 0.0244 0.2866 1
Onchocerca volvulus 0.0103 0.0543 0.1297
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0244 0.2866 0.2903
Brugia malayi Dopamine receptor protein 2 0.0244 0.2866 0.2903
Echinococcus multilocularis G-protein coupled receptor, putative 0.0244 0.2866 0.2903
Loa Loa (eye worm) G-protein coupled receptor 0.0244 0.2866 0.3052
Schistosoma mansoni neuropeptide receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0129 0.0966 1
Brugia malayi putative neuropeptide receptor NPR1 0.0244 0.2866 0.2903
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.018 0.1807 0.1751
Echinococcus multilocularis bifunctional protein NCOAT 0.064 0.9391 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Onchocerca volvulus 0.0244 0.2866 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus tm gpcr rhodopsin 0.0244 0.2866 0.2903
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0244 0.2866 0.2903
Brugia malayi Tachykinin-like peptides receptor 99D 0.0244 0.2866 0.2903
Echinococcus multilocularis allatostatin A receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Schistosoma mansoni amine GPCR 0.0244 0.2866 0.2722
Echinococcus multilocularis neuropeptides capa receptor 0.0244 0.2866 0.2903
Onchocerca volvulus Neuropeptide F receptor homolog 0.0244 0.2866 1
Brugia malayi Hyaluronidase family protein 0.064 0.9391 1
Onchocerca volvulus 0.0244 0.2866 1
Echinococcus multilocularis neuropeptide receptor 0.0244 0.2866 0.2903
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0123 0.0869 0.0731
Treponema pallidum adenosine deaminase 0.0137 0.1113 1
Echinococcus granulosus neuropeptide Y receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis g protein coupled receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus granulosus biogenic amine 5HT receptor 0.0244 0.2866 0.2903
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0129 0.0966 0.8391
Onchocerca volvulus 0.0244 0.2866 1
Trypanosoma brucei AMP deaminase, putative 0.0129 0.0966 1
Onchocerca volvulus 0.0244 0.2866 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0244 0.2866 0.2722
Onchocerca volvulus 0.0244 0.2866 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0244 0.2866 0.2722
Echinococcus granulosus adenosine deaminase 0.0137 0.1113 0.0996
Echinococcus granulosus AMP deaminase 2 0.0129 0.0966 0.0836
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus granulosus potassium voltage gated channel subfamily H 0.062 0.9062 0.9642
Loa Loa (eye worm) hypothetical protein 0.0103 0.0543 0.0578
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Echinococcus multilocularis neuropeptide receptor 0.0244 0.2866 0.2903
Echinococcus granulosus alpha 1A adrenergic receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni amine GPCR 0.0244 0.2866 0.2722
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0082 0.0197 0.021
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0123 0.0869 0.0686
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0082 0.0197 0.021
Echinococcus granulosus hyperpolarization activated cyclic 0.0123 0.0869 0.0731
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0123 0.0869 0.0731
Echinococcus granulosus 7TM GPCR rhodopsin 0.0244 0.2866 0.2903
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0244 0.2866 0.3052
Echinococcus granulosus g protein coupled receptor 0.0244 0.2866 0.2903
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0129 0.0966 0.8391
Onchocerca volvulus AMP deaminase 2 homolog 0.0129 0.0966 0.2881
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.018 0.1807 0.1751
Echinococcus granulosus orexin receptor type 2 0.0244 0.2866 0.2903
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0244 0.2866 0.2903
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0244 0.2866 0.2903
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0123 0.0869 0.082
Brugia malayi sulfakinin receptor protein 0.0244 0.2866 0.2903
Echinococcus granulosus tm gpcr rhodopsin 0.0244 0.2866 0.2903
Echinococcus granulosus bifunctional protein NCOAT 0.064 0.9391 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Loa Loa (eye worm) AMP deaminase 0.0129 0.0966 0.1028
Trypanosoma cruzi AMP deaminase, putative 0.0129 0.0966 1
Onchocerca volvulus 0.0244 0.2866 1
Schistosoma mansoni hypothetical protein 0.0244 0.2866 0.2722
Schistosoma mansoni neuropeptide receptor 0.0244 0.2866 0.2722
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus multilocularis somatostatin receptor 0.0244 0.2866 0.2903
Echinococcus granulosus neuropeptide FF receptor 2 0.0244 0.2866 0.2903
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus multilocularis hyperpolarization activated cyclic 0.0123 0.0869 0.0731
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.064 0.9391 0.9379
Loa Loa (eye worm) hypothetical protein 0.0272 0.3327 0.3543
Loa Loa (eye worm) melatonin receptor type 1A 0.0244 0.2866 0.3052
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0244 0.2866 0.2903
Echinococcus multilocularis g-protein coupled receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0137 0.1113 0.1185
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0244 0.2866 0.2903
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Onchocerca volvulus 0.0244 0.2866 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0244 0.2866 0.2903
Echinococcus multilocularis neuropeptide FF receptor 2 0.0244 0.2866 0.2903
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0082 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0244 0.2866 0.2722
Echinococcus granulosus voltage gated potassium channel 0.018 0.1807 0.1751
Echinococcus granulosus g protein coupled receptor 0.0244 0.2866 0.2903
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0123 0.0869 0.0686
Schistosoma mansoni opsin-like receptor 0.0244 0.2866 0.2722
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Schistosoma mansoni hypothetical protein 0.0244 0.2866 0.2722
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0123 0.0869 0.0686
Schistosoma mansoni AMP deaminase 0.0129 0.0966 0.0784
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0123 0.0869 0.0925
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus g protein coupled receptor 0.0244 0.2866 0.2903
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0137 0.1113 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0103 0.0543 0.3777
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Schistosoma mansoni amine GPCR 0.0244 0.2866 0.2722
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0244 0.2866 0.2903
Loa Loa (eye worm) G-protein coupled receptor 0.0244 0.2866 0.3052
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0129 0.0966 1
Brugia malayi larval opioid receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis neuropeptide receptor A26 0.0244 0.2866 0.2903
Loa Loa (eye worm) solute carrier family 6 member 4 0.0103 0.0543 0.0578
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0244 0.2866 0.2722
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus multilocularis sex peptide receptor 0.0244 0.2866 0.2903
Echinococcus granulosus neuropeptides capa receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis fmrfamide receptor 0.0244 0.2866 0.2903
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0244 0.2866 0.2722
Schistosoma mansoni Hyaluronidase 0.064 0.9391 0.9379
Echinococcus granulosus potassium voltage gated channel subfamily H 0.018 0.1807 0.1751
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0103 0.0543 0.0353
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0123 0.0869 0.0731
Brugia malayi putative neuropeptide receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni myosin xvIII 0.0244 0.2866 0.2722
Echinococcus multilocularis adenosine deaminase 0.0137 0.1113 0.0996
Schistosoma mansoni voltage-gated potassium channel 0.018 0.1807 0.1643
Schistosoma mansoni hypothetical protein 0.0244 0.2866 0.2722
Schistosoma mansoni growth hormone secretagogue receptor 0.0244 0.2866 0.2722
Brugia malayi follicle stimulating hormone receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Brugia malayi Melatonin receptor type 1A 0.0244 0.2866 0.2903
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0244 0.2866 0.3052
Echinococcus multilocularis voltage gated potassium channel 0.018 0.1807 0.1751
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0123 0.0869 0.0686
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0123 0.0869 0.0731
Loa Loa (eye worm) TYRA-2 protein 0.0244 0.2866 0.3052
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0244 0.2866 0.3052
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0244 0.2866 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0082 0.0197 0.021
Brugia malayi neuropeptide F receptor 0.0244 0.2866 0.2903
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0244 0.2866 0.2722
Brugia malayi AKH receptor 0.0244 0.2866 0.2903
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0137 0.1113 1
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni voltage-gated potassium channel 0.0677 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Schistosoma mansoni voltage-gated potassium channel 0.018 0.1807 0.1643
Echinococcus granulosus neuropeptides capa receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis serotonin receptor 0.0244 0.2866 0.2903
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Toxoplasma gondii AMP deaminase 0.0129 0.0966 0.8391
Plasmodium falciparum adenosine deaminase 0.0137 0.1113 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0244 0.2866 0.2903
Onchocerca volvulus 0.0244 0.2866 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Echinococcus granulosus fmrfamide receptor 0.0244 0.2866 0.2903
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0123 0.0869 0.082
Echinococcus granulosus hypothetical protein 0.0244 0.2866 0.2903
Echinococcus granulosus neuropeptide receptor 0.0244 0.2866 0.2903
Brugia malayi ORL1-like opioid receptor 0.0244 0.2866 0.2903
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Echinococcus multilocularis neuropeptide s receptor 0.0244 0.2866 0.2903
Echinococcus granulosus rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Leishmania major AMP deaminase, putative 0.0129 0.0966 0.8391
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0244 0.2866 0.2903
Echinococcus granulosus hyperpolarization activated cyclic 0.0123 0.0869 0.0731
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Leishmania major adenine aminohydrolase 0.0137 0.1113 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1807 0.1924
Echinococcus multilocularis rhodopsin orphan GPCR 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0244 0.2866 0.2903
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0244 0.2866 0.2903
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis serotonin receptor 0.0244 0.2866 0.2903
Brugia malayi RE15519p 0.0244 0.2866 0.2903
Echinococcus granulosus somatostatin receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis orexin receptor type 2 0.0244 0.2866 0.2903
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0244 0.2866 0.2722
Brugia malayi adenosine monophosphate deaminase 0.0129 0.0966 0.0836
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0244 0.2866 0.2722
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus multilocularis fmrfamide receptor 0.0244 0.2866 0.2903
Schistosoma mansoni opsin-like receptor 0.0244 0.2866 0.2722
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0129 0.0966 1
Brugia malayi hypothetical protein 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0123 0.0869 0.0731
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0579 0.839 1
Echinococcus granulosus sex peptide receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.2866 0.3052
Schistosoma mansoni hypothetical protein 0.0244 0.2866 0.2722
Brugia malayi Dopamine receptor protein 1 0.0244 0.2866 0.2903
Echinococcus multilocularis neuropeptide Y receptor 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Brugia malayi GnHR receptor homolog 0.0244 0.2866 0.2903
Loa Loa (eye worm) hypothetical protein 0.0244 0.2866 0.3052
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0244 0.2866 0.2903
Echinococcus multilocularis serotonin transporter 0.0103 0.0543 0.0376
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0244 0.2866 0.2903
Trypanosoma cruzi AMP deaminase, putative 0.0129 0.0966 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0244 0.2866 0.2722
Echinococcus multilocularis hyperpolarization activated cyclic 0.0123 0.0869 0.0731
Plasmodium vivax adenosine deaminase, putative 0.0137 0.1113 1
Echinococcus granulosus neuropeptide s receptor 0.0244 0.2866 0.2903

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.36 uM Inhibitory activity against porcine heart or recombinant human E-type AMPDA ChEMBL. 10780908
Ki (binding) = 0.36 uM Inhibitory activity against porcine heart or recombinant human E-type AMPDA ChEMBL. 10780908
Ki (binding) > 7.5 uM Inhibitory activity against calf intestinal Adenosine deaminase (ADA) ChEMBL. 10780908
Ki (binding) > 7.5 uM Inhibitory activity against calf intestinal Adenosine deaminase (ADA) ChEMBL. 10780908

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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