Detailed information for compound 103730

Basic information

Technical information
  • TDR Targets ID: 103730
  • Name: (4S)-4-acetamido-5-[[(2S)-3-cyclohexyl-1-[[(2 R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amin o]-1-oxopropan-2-yl]amino]-5-oxopentanoic aci d
  • MW: 445.53 | Formula: C19H31N3O7S
  • H donors: 5 H acceptors: 7 LogP: 1.17 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC(=O)O)CC1CCCCC1
  • InChi: 1S/C19H31N3O7S/c1-11(23)20-13(7-8-16(24)25)17(26)21-14(9-12-5-3-2-4-6-12)18(27)22-15(10-30)19(28)29/h12-15,30H,2-10H2,1H3,(H,20,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1
  • InChiKey: JOZDKRPORTUAIW-KKUMJFAQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4S)-4-acetamido-5-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4S)-4-acetamido-5-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-1-(mercaptomethyl)-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4S)-4-acetamido-5-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanyl-propan-2-yl]amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (4S)-4-acetamido-5-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid
  • AcGlu-.beta.-Cyclohexylalanine-Cys
  • AcGlu-Cha-Cys
  • AIDS-185081
  • AIDS185081

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Hepatitis C virus NS3 protease/helicase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium yoelii RNA helicase-1 Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-III, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum ATP-dependent RNA helicase eIF4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania mexicana Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Neospora caninum DEAD-box ATP-dependent RNA helicase 34 (EC 3.6.1.-), related Get druggable targets OG5_126984 All targets in OG5_126984
Entamoeba histolytica DEAD/DEAH box helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium falciparum eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei gambiense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium vivax RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Theileria parva RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium berghei eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Treponema pallidum ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium knowlesi eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania braziliensis eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania donovani Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) Get druggable targets OG5_126984 All targets in OG5_126984
Babesia bovis eukaryotic translation initiation factor 4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-II, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Giardia lamblia Translation initiation factor eIF-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Toxoplasma gondii eukaryotic initiation factor-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Onchocerca volvulus Eukaryotic initiation factor 4A homolog Get druggable targets OG5_126984 All targets in OG5_126984
Brugia malayi eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium parvum eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium hominis eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
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 5'partial|histone lysine N methyltransferase SETDB2 0.0287 0.1915 0.9594
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0073 0.0334 0.0217
Brugia malayi Trypsin family protein 0.003 0.0013 0.0016
Schistosoma mansoni hypothetical protein 0.003 0.0013 0.0023
Echinococcus granulosus lysosomal acid phosphatase 0.0065 0.0276 0.1381
Echinococcus multilocularis glycoprotein Antigen 5 0.003 0.0013 0.0064
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.1011 0.7261 1
Brugia malayi PAS domain containing protein 0.0054 0.0197 0.025
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0052 0.018 0.0231
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0298 0.1996 0.2748
Onchocerca volvulus 0.003 0.0013 0.0013
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.003 0.0013 0.0455
Onchocerca volvulus 0.0065 0.0276 0.0276
Echinococcus granulosus endothelin converting enzyme 1 0.0052 0.018 0.0902
Loa Loa (eye worm) hypothetical protein 0.0052 0.018 0.0228
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.003 0.0013 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0298 0.1996 0.3526
Trypanosoma brucei trypanothione reductase 0.0053 0.0185 0.5386
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0298 0.1996 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Brugia malayi Trypsin family protein 0.003 0.0013 0.0016
Echinococcus granulosus Chromobox protein 3 0.0028 0.000000048345 0.00000024226
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.003 0.0013 0.0016
Onchocerca volvulus 0.003 0.0013 0.0013
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0092 0.0462
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0052 0.018 0.0228
Brugia malayi eukaryotic initiation factor 4A 0.003 0.0013 0.0016
Plasmodium vivax SET domain protein, putative 0.0298 0.1996 0.2748
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0152 0.0918 0.1248
Toxoplasma gondii peptidase family M13 protein 0.0052 0.018 0.0248
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.1011 0.7261 1
Trichomonas vaginalis Lysophosphatidic acid phosphatase type 6 precursor, putative 0.0065 0.0276 0.0276
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.1011 0.7261 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0039 0.0079 0.0101
Echinococcus granulosus lysosomal acid phosphatase 0.0062 0.0253 0.1268
Loa Loa (eye worm) trypsin family protein 0.003 0.0013 0.0016
Brugia malayi hypothetical protein 0.003 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0109
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1011 0.7261 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.003 0.0013 0.0023
Trichomonas vaginalis acid phosphatase, putative 0.0065 0.0276 0.0276
Trichomonas vaginalis set domain proteins, putative 0.1381 1 1
Schistosoma mansoni hypothetical protein 0.003 0.0013 0.0023
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Trypanosoma brucei beta lactamase 0.0073 0.0334 1
Brugia malayi Trypsin-like protease protein 5 0.003 0.0013 0.0016
Brugia malayi Pre-SET motif family protein 0.0298 0.1996 0.2533
Loa Loa (eye worm) hypothetical protein 0.0052 0.018 0.0228
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0191 0.0955
Echinococcus multilocularis enteropeptidase 0.003 0.0013 0.0064
Brugia malayi Trypsin family protein 0.003 0.0013 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Trichomonas vaginalis acid phosphatase, putative 0.0065 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0109
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Echinococcus granulosus enteropeptidase 0.003 0.0013 0.0064
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0253 0.0253
Trichomonas vaginalis testicular acid phosphatase, putative 0.0065 0.0276 0.0276
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.003 0.0013 0.0064
Plasmodium falciparum thioredoxin reductase 0.0053 0.0185 0.0255
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0191 0.0955
Trichomonas vaginalis acid phosphatase, putative 0.0065 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0479 0.3333 0.423
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1011 0.7261 1
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0185 0.0255
Echinococcus granulosus transmembrane protease serine 3 0.003 0.0013 0.0064
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Entamoeba histolytica histidine acid phosphatase family protein 0.0065 0.0276 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.1144 0.1452
Plasmodium falciparum eukaryotic initiation factor 4A 0.003 0.0013 0.0017
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.003 0.0013 0.0013
Leishmania major membrane-bound acid phosphatase 2 0.0065 0.0276 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.003 0.0013 0.0063
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.003 0.0013 0.0064
Loa Loa (eye worm) hypothetical protein 0.0298 0.1996 0.2533
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0065 0.0276 0.035
Echinococcus multilocularis eukaryotic initiation factor 4A 0.003 0.0013 0.0063
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0185 0.7189
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0298 0.1996 1
Trypanosoma brucei membrane-bound acid phosphatase 1 precursor 0.0062 0.0253 0.7493
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Echinococcus granulosus histone lysine methyltransferase setb 0.0298 0.1996 1
Trichomonas vaginalis prostatic acid phosphatase, putative 0.0065 0.0276 0.0276
Onchocerca volvulus 0.003 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Onchocerca volvulus 0.003 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0496 0.3458 0.4388
Echinococcus granulosus single minded 2 0.004 0.0092 0.0462
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Echinococcus multilocularis lysosomal acid phosphatase 0.0062 0.0253 0.1268
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.003 0.0013 0.0064
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Echinococcus granulosus glycoprotein Antigen 5 0.003 0.0013 0.0064
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0253 0.0253
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Trichomonas vaginalis acid phosphatase, putative 0.0065 0.0276 0.0276
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0052 0.018 0.0318
Plasmodium vivax RNA helicase-1, putative 0.003 0.0013 0.0017
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0109
Brugia malayi bHLH-PAS transcription factor 0.004 0.0092 0.0117
Brugia malayi Peptidase family M13 containing protein 0.0052 0.018 0.0228
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.0101
Brugia malayi SET domain containing protein 0.0507 0.3539 0.4491
Echinococcus multilocularis Mastin 0.003 0.0013 0.0064
Entamoeba histolytica histidine acid phosphatase family protein 0.0065 0.0276 1
Echinococcus multilocularis endothelin converting enzyme 1 0.0052 0.018 0.0902
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.003 0.0013 0.0013
Mycobacterium ulcerans putative regulatory protein 0.004 0.0092 0.0109
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0298 0.1996 0.3526
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.0016
Mycobacterium ulcerans zinc metalloprotease 0.0052 0.018 0.023
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Giardia lamblia Lysosomal acid phosphatase precursor 0.0065 0.0276 1
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.0101
Trichomonas vaginalis histidine acid phosphatase, putative 0.0065 0.0276 0.0276
Schistosoma mansoni single-minded 0.0054 0.0197 0.0348
Brugia malayi Trypsin family protein 0.003 0.0013 0.0016
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.003 0.0013 0.0017
Echinococcus granulosus eukaryotic initiation factor 4A 0.003 0.0013 0.0063
Onchocerca volvulus 0.0794 0.5659 0.5659
Echinococcus granulosus Mastin 0.003 0.0013 0.0064
Echinococcus multilocularis lysosomal acid phosphatase 0.0062 0.0253 0.1268
Trichomonas vaginalis acid phosphatase, putative 0.0065 0.0276 0.0276
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1011 0.7261 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0054 0.0197 0.0348
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0109
Leishmania major trypanothione reductase 0.0053 0.0185 0.657
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Trypanosoma cruzi membrane-bound acid phosphatase 2, putative 0.0062 0.0253 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0185 0.0239
Trypanosoma cruzi membrane-bound acid phosphatase 2, putative 0.0062 0.0253 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0073 0.0334 0.0443
Onchocerca volvulus 0.004 0.0092 0.0092
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.003 0.0013 0.0022
Onchocerca volvulus 0.0028 0.000000048345 0.000000048345
Trichomonas vaginalis acid phosphatase, putative 0.0065 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.0101
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0298 0.1996 0.3526
Brugia malayi Pre-SET motif family protein 0.1094 0.788 1
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0253 0.0253
Loa Loa (eye worm) peptidase family M13 containing protein 0.0039 0.0079 0.0101
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1011 0.7261 1
Schistosoma mansoni acid phosphatase-related 0.0065 0.0276 0.0487
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0152 0.0918 0.1249
Trypanosoma brucei membrane-bound acid phosphatase 2 0.0062 0.0253 0.7493
Schistosoma mansoni prostatic acid phosphatase 0.0065 0.0276 0.0487
Trypanosoma cruzi membrane-bound acid phosphatase 2, putative 0.0062 0.0253 1
Mycobacterium tuberculosis Conserved protein 0.028 0.1861 0.255
Echinococcus multilocularis lysosomal acid phosphatase 0.0065 0.0276 0.1381
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.003 0.0013 0.0022
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0064
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0109
Echinococcus granulosus eukaryotic initiation factor 4A III 0.003 0.0013 0.0063
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Toxoplasma gondii thioredoxin reductase 0.0053 0.0185 0.0255
Plasmodium vivax glutathione reductase, putative 0.0053 0.0185 0.0255
Loa Loa (eye worm) hypothetical protein 0.0065 0.0276 0.035
Leishmania major membrane-bound acid phosphatase 2, putative 0.0065 0.0276 1
Brugia malayi Thioredoxin reductase 0.0053 0.0185 0.0235
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.1011 0.7261 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0169 0.104 0.1319
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Onchocerca volvulus 0.003 0.0013 0.0013
Echinococcus multilocularis transmembrane protease serine 3 0.003 0.0013 0.0064
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0185 0.0235
Loa Loa (eye worm) hypothetical protein 0.0052 0.018 0.0228
Plasmodium falciparum glutathione reductase 0.0053 0.0185 0.0255
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.0101
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1094 0.788 1
Brugia malayi hypoxia-induced factor 1 0.0169 0.104 0.1319
Onchocerca volvulus 0.003 0.0013 0.0013
Brugia malayi Histidine acid phosphatase family protein 0.0065 0.0276 0.035
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0794 0.5659 1
Mycobacterium ulcerans lipoprotein LpqF 0.0073 0.0334 0.0442
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0276 0.0276
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1011 0.7261 0.5
Echinococcus multilocularis lysosomal acid phosphatase 0.0062 0.0253 0.1268
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.003 0.0013 0.0013
Echinococcus multilocularis Chromobox protein 3 0.0028 0.000000048345 0.00000024226
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0109
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Loa Loa (eye worm) glutathione reductase 0.0053 0.0185 0.0235
Brugia malayi glutathione reductase 0.0053 0.0185 0.0235
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.0013 0.0023
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.0013 0.0023
Brugia malayi hypothetical protein 0.0183 0.1144 0.1452

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.1 uM Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length) ChEMBL. 11206459
Ki (binding) = 4.1 uM Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length) ChEMBL. 11206459
Ki (binding) = 230 uM Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain) ChEMBL. 11206459
Ki (binding) = 230 uM Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain) ChEMBL. 11206459

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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