Detailed information for compound 211013

Basic information

Technical information
  • TDR Targets ID: 211013
  • Name: N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl )sulfonylamino]-2-hydroxypropyl]-2-(3-hydroxy -2-methylphenyl)-N-phenethylacetamide
  • MW: 594.761 | Formula: C33H42N2O6S
  • H donors: 2 H acceptors: 5 LogP: 5.31 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@H](CN(C(=O)Cc1cccc(c1C)O)CCc1ccccc1)O)CC1CCCC1
  • InChi: 1S/C33H42N2O6S/c1-25-28(13-8-14-32(25)37)21-33(38)34(20-19-26-9-4-3-5-10-26)23-29(36)24-35(22-27-11-6-7-12-27)42(39,40)31-17-15-30(41-2)16-18-31/h3-5,8-10,13-18,27,29,36-37H,6-7,11-12,19-24H2,1-2H3/t29-/m0/s1
  • InChiKey: JDIRUGMVMRZIOA-LJAQVGFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-2-(3-hydroxy-2-methyl-phenyl)-N-phenethyl-acetamide
  • N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-2-(3-hydroxy-2-methyl-phenyl)-N-phenethyl-ethanamide
  • N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-2-(3-hydroxy-2-methylphenyl)-N-(2-phenylethyl)acetamide
  • N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-2-(3-hydroxy-2-methyl-phenyl)-N-(2-phenylethyl)acetamide
  • N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-2-(3-hydroxy-2-methyl-phenyl)-N-(2-phenylethyl)ethanamide
  • N-((2S)-3-{(Cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-2-(3-hydroxy-2-methylphenyl)-N-(2-phenylethyl)acetamide
  • AIDS-082055
  • AIDS082055

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) Get druggable targets OG5_131408 All targets in OG5_131408
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Giardia lamblia DNA-directed RNA polymerase subunit D Human immunodeficiency virus type 1 protease   99 aa 90 aa 27.8 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Mycobacterium leprae Hypothetical protein Human immunodeficiency virus type 1 protease   99 aa 86 aa 27.9 %
Echinococcus multilocularis Chromobox protein 3 Human immunodeficiency virus type 1 protease   99 aa 95 aa 28.4 %
Trypanosoma brucei variant surface glycoprotein (VSG), putative Human immunodeficiency virus type 1 protease   99 aa 80 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0184 0.0757 0.1332
Leishmania major cytochrome p450-like protein 0.0019 0.0038 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0013 0.0013 0.0018
Entamoeba histolytica hypothetical protein 0.0035 0.0109 0.0029
Leishmania major pteridine reductase 1 0.0194 0.0799 0.0799
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1528 0.6606 0.9366
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0022 0.0022
Loa Loa (eye worm) glycosyl hydrolase family 20 0.0374 0.1581 0.2241
Trypanosoma brucei membrane transporter protein, putative 0.0034 0.0101 0.0101
Leishmania major hypothetical protein, conserved 0.0025 0.0063 0.0063
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.0757 0.4418
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0011 0.0001 0.0002
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0013 0.0013 0.0018
Brugia malayi Steroid receptor seven-up type 2 0.0013 0.0013 0.0018
Brugia malayi thymidylate synthase 0.1313 0.5672 0.8042
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2307 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0013 0.0013 0.0018
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0374 0.1581 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0038 0.0038
Chlamydia trachomatis dihydrofolate reductase 0.163 0.7053 0.5
Schistosoma mansoni hypothetical protein 0.0403 0.1709 0.2423
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0013 0.0013 0.0018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0013 0.0013 0.0018
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0011 0.0001 0.0002
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0022 0.0032
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0003 0.0004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0013 0.0013 0.0018
Loa Loa (eye worm) hypothetical protein 0.0233 0.0969 0.1373
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0202 0.0202
Schistosoma mansoni nuclear hormone receptor 0.0013 0.0013 0.0018
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0063 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0013 0.0013 0.0018
Brugia malayi hypothetical protein 0.0035 0.0109 0.0154
Mycobacterium ulcerans thymidylate synthase 0.1313 0.5672 0.8042
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0013 0.0013 0.0018
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit 0.0374 0.1581 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0013 0.0013 0.0018
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0104 0.0104
Echinococcus granulosus transcription factor btf3 0.0034 0.0104 0.0148
Trypanosoma brucei MATE efflux family protein, putative 0.0034 0.0101 0.0101
Echinococcus granulosus beta hexosaminidase subunit alpha 0.0233 0.0971 0.1376
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0013 0.0013 0.0018
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0038 0.0053
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0022 0.0032
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit 0.0374 0.1581 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0013 0.0013 0.0018
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0184 0.0757 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0013 0.0013 0.0018
Echinococcus granulosus cpg binding protein 0.003 0.0085 0.012
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0104 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0013 0.0013 0.0018
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0104 0.0082
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0063 0.004
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0013 0.0013 0.0018
Brugia malayi ecdysteroid receptor 0.0013 0.0013 0.0018
Schistosoma mansoni hypothetical protein 0.0035 0.0109 0.0154
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0013 0.0013 0.0018
Schistosoma mansoni hypothetical protein 0.0167 0.0681 0.0966
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0202 0.0202
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.0757 0.2538
Echinococcus granulosus beta hexosaminidase subunit beta 0.0374 0.1581 0.2241
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0013 0.0013 0.0018
Echinococcus granulosus dihydrofolate reductase 0.163 0.7053 1
Schistosoma mansoni cpg binding protein 0.003 0.0085 0.012
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0109 0.0154
Loa Loa (eye worm) thymidylate synthase 0.1313 0.5672 0.8042
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0101 0.0101
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0013 0.0018
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0038 0.0053
Schistosoma mansoni hypothetical protein 0.0011 0.0003 0.0004
Schistosoma mansoni coup transcription factor 0.0013 0.0013 0.0018
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1313 0.5672 0.8042
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0013 0.0013 0.0018
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0087 0.0332 0.0471
Onchocerca volvulus 0.1313 0.5672 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0013 0.0013 0.0021
Echinococcus granulosus FTZ F1 alpha 0.0013 0.0013 0.0018
Schistosoma mansoni cpg binding protein 0.0028 0.0078 0.011
Trichomonas vaginalis beta-hexosaminidase, putative 0.0233 0.0971 0.337
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.0757 0.2538
Schistosoma mansoni hypothetical protein 0.0051 0.0176 0.025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0013 0.0013 0.0018
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.0013 0.0018
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2307 1 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0184 0.0757 0.1073
Trypanosoma brucei pteridine reductase 1 0.0191 0.0788 0.0788
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0022 0.0022
Trichomonas vaginalis beta-hexosaminidase, putative 0.0233 0.0971 0.337
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0087 0.0332 0.0471
Brugia malayi beta-NAC-like protein 0.0034 0.0104 0.0148
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0202 0.0379
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0013 0.0013 0.0018
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0034 0.0101 0.0143
Entamoeba histolytica hypothetical protein 0.0035 0.0109 0.0029
Schistosoma mansoni RAR-like nuclear receptor 0.0013 0.0013 0.0018
Schistosoma mansoni cpg binding protein 0.003 0.0085 0.012
Brugia malayi steroid hormone receptor 0.0013 0.0013 0.0018
Entamoeba histolytica hypothetical protein 0.0035 0.0109 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0101 0.0101
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0063 0.0063
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0013 0.0013 0.0018
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Schistosoma mansoni thyroid hormone receptor 0.0013 0.0013 0.0018
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0063 0.004
Brugia malayi Cytochrome P450 family protein 0.0019 0.0038 0.0053
Onchocerca volvulus 0.0049 0.0167 0.0291
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.163 0.7053 1
Schistosoma mansoni dihydrofolate reductase 0.163 0.7053 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0278 0.1164 0.165
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0013 0.0013 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0013 0.0013 0.0018
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0013 0.0013 0.0018
Echinococcus multilocularis tumor protein p63 0.0333 0.1404 0.199
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.0757 0.2538
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0109 0.0154
Trichomonas vaginalis beta-hexosaminidase, putative 0.0087 0.0332 0.0885
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0101 0.0101
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2307 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0022 0.0022
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.0757 0.2538
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0022 0.0032
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0022 0.0022
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0161 0.0229
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0022 0.0032
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0022 0.0022
Brugia malayi hypothetical protein 0.0016 0.0024 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0013 0.0013 0.0018
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0104 0.0104
Trypanosoma cruzi membrane transporter protein, putative 0.0034 0.0101 0.0101
Brugia malayi hypothetical protein 0.0625 0.2674 0.3792
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.0757 0.2538
Loa Loa (eye worm) hypothetical protein 0.0087 0.0332 0.0471
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0216 0.0306
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0087 0.0332 0.0471
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0013 0.0013 0.0018
Echinococcus multilocularis transcription factor btf3 0.0034 0.0104 0.0148
Brugia malayi photoreceptor-specific nuclear receptor 0.0013 0.0013 0.0018
Schistosoma mansoni beta-hexosaminidase B 0.0374 0.1581 0.2241
Leishmania major hypothetical protein, conserved 0.0034 0.0101 0.0101
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0374 0.1581 0.2241
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0038 0.0038
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0063 0.0063
Trypanosoma brucei oxidoreductase-like protein 0.0011 0.0001 0.0001
Schistosoma mansoni survival motor neuron protein 0.0048 0.0161 0.0229
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0167 0.0236
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0104 0.0082
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.0233 0.0971 0.1376
Onchocerca volvulus 0.0013 0.0013 0.0021
Loa Loa (eye worm) dihydrofolate reductase 0.163 0.7053 1
Echinococcus granulosus geminin 0.0167 0.0681 0.0966
Schistosoma mansoni retinoic acid receptor RXR 0.0013 0.0013 0.0018
Echinococcus multilocularis thyroid hormone receptor alpha 0.0013 0.0013 0.0018
Brugia malayi CXXC zinc finger family protein 0.0028 0.0078 0.011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.163 0.7053 1
Trichomonas vaginalis conserved hypothetical protein 0.0625 0.2674 1
Echinococcus multilocularis dihydrofolate reductase 0.163 0.7053 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0038 0.0053
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0127 0.0509 0.0722
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0013 0.0013 0.0018
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0038 0.0053
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1313 0.5672 0.8042
Schistosoma mansoni thyroid hormone receptor 0.0013 0.0013 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0013 0.0013 0.0018
Echinococcus multilocularis thymidylate synthase 0.1313 0.5672 0.8042
Loa Loa (eye worm) steroid hormone receptor 0.0013 0.0013 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0013 0.0013 0.0018
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2307 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0013 0.0013 0.0018
Trypanosoma brucei membrane transporter protein, putative 0.0034 0.0101 0.0101
Brugia malayi nuclear hormone receptor 0.0013 0.0013 0.0018
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0078 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0101 0.0101
Schistosoma mansoni multidrug resistance protein 0.0034 0.0101 0.0143
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0013 0.0013 0.0018
Echinococcus multilocularis ecdysone induced protein 78C 0.0013 0.0013 0.0018
Echinococcus granulosus thymidylate synthase 0.1313 0.5672 0.8042
Schistosoma mansoni transcription factor btf3 0.0034 0.0104 0.0148
Echinococcus granulosus dnaJ subfamily B 0.0403 0.1709 0.2423
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0101 0.0101
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0034 0.0101 0.0143
Echinococcus multilocularis geminin 0.0167 0.0681 0.0966
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.0757 0.2538
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0031 0.0088 0.0125
Brugia malayi isocitrate dehydrogenase 0.0016 0.0022 0.0032
Brugia malayi nuclear receptor NHR-88 0.0013 0.0013 0.0018
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0104 0.0148
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0374 0.1581 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0022 0.0032
Leishmania major basic transcription factor 3a, putative 0.0034 0.0104 0.0104
Mycobacterium tuberculosis Hypothetical protein 0.0625 0.2674 0.3792
Mycobacterium tuberculosis Probable oxidoreductase 0.0011 0.0001 0.0002
Onchocerca volvulus Bile acid receptor homolog 0.0013 0.0013 0.0021
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0022 0.0032
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0013 0.0013 0.0018
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0003 0.0004
Schistosoma mansoni hypothetical protein 0.0167 0.0681 0.0966
Brugia malayi Dihydrofolate reductase 0.163 0.7053 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0013 0.0013 0.0021
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0013 0.0013 0.0018
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.0757 0.4418
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0013 0.0013 0.0018
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0202 0.0379
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0013 0.0013 0.0018
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0011 0.0001 0.0001
Trichomonas vaginalis beta-hexosaminidase, putative 0.0233 0.0971 0.337
Trypanosoma brucei membrane transporter protein, putative 0.0034 0.0101 0.0101
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0013 0.0013 0.0018
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.0969 0.1373
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0625 0.2674 0.2674
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0049 0.0167 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0013 0.0013 0.0018
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0022 0.0032
Echinococcus multilocularis cpg binding protein 0.003 0.0085 0.012
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0109 0.0154
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0022 0.0022
Brugia malayi dihydrofolate reductase family protein 0.163 0.7053 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0063 0.0063
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0038 0.0053
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0233 0.0971 0.337
Brugia malayi hypothetical protein 0.0025 0.0063 0.0089
Echinococcus granulosus ecdysone induced protein 78C 0.0013 0.0013 0.0018
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1313 0.5672 0.8042
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.163 0.7053 1
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.0969 0.1373
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0013 0.0013 0.0018
Leishmania major hypothetical protein, conserved 0.0057 0.0202 0.0202
Entamoeba histolytica hypothetical protein 0.0035 0.0109 0.0029
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0063 0.004
Echinococcus multilocularis beta hexosaminidase subunit beta 0.0374 0.1581 0.2241
Schistosoma mansoni steroid hormone receptor ad4bp 0.0013 0.0013 0.0018
Schistosoma mansoni hypothetical protein 0.0048 0.0161 0.0229
Onchocerca volvulus 0.0028 0.0078 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0013 0.0013 0.0018
Schistosoma mansoni beta-hexosaminidase B 0.0374 0.1581 0.2241
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0022 0.0032
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0184 0.0757 0.1073
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0011 0.0001 0.0001
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0022 0.0032
Onchocerca volvulus Hexosaminidase D homolog 0.0087 0.0332 0.0583
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0089
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0022 0.0032
Mycobacterium ulcerans short chain dehydrogenase 0.0011 0.0001 0.0002
Brugia malayi hypothetical protein 0.0233 0.0969 0.1373
Leishmania major hypothetical protein, conserved 0.0034 0.0101 0.0101
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.1709 0.2423
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0018
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0188 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0013 0.0013 0.0018
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2307 1 1
Echinococcus granulosus tumor protein p63 0.0333 0.1404 0.199
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0184 0.0757 0.1073
Onchocerca volvulus 0.0048 0.0161 0.0282
Leishmania major oxidoreductase-like protein 0.0011 0.0001 0.0001
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0011 0.0001 0.0002
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0202 0.0202

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 66 nM Binding affinity to HIV-1 protease was determined ChEMBL. 9934484
Ki (binding) = 66 nM Binding affinity to HIV-1 protease was determined ChEMBL. 9934484

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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