Detailed information for compound 114686

Basic information

Technical information
  • TDR Targets ID: 114686
  • Name: (2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[[(2 S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)b utanoyl]amino]-4-phenylbutyl]-N'-pentan-3-ylb utanediamide
  • MW: 662.819 | Formula: C36H50N6O6
  • H donors: 6 H acceptors: 8 LogP: 3.46 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCC(NC(=O)C[C@H](C(C)(C)C)C(=O)NC[C@H]([C@@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)NC(=O)c1cnc2c(n1)cccc2)O)CC
  • InChi: 1S/C36H50N6O6/c1-7-24(8-2)39-31(45)19-25(36(4,5)6)33(46)38-21-30(44)28(18-23-14-10-9-11-15-23)41-35(48)32(22(3)43)42-34(47)29-20-37-26-16-12-13-17-27(26)40-29/h9-17,20,22,24-25,28,30,32,43-44H,7-8,18-19,21H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t22?,25-,28-,30+,32-/m0/s1
  • InChiKey: SOFAAHKTTVKGDZ-KBSKDDNMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-2-tert-butyl-N'-(1-ethylpropyl)-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]butanediamide
  • (2R)-2-tert-butyl-N'-(1-ethylpropyl)-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-hydroxy-1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]butyl]amino]-4-phenylbutyl]butanediamide
  • (2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-hydroxy-2-(quinoxalin-2-ylcarbonylamino)butanoyl]amino]-4-phenyl-butyl]-N'-pentan-3-yl-butanediamide
  • (2R)-2-tert-butyl-N'-(1-ethylpropyl)-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]succinamide
  • (2R)-2-tert-butyl-N'-(1-ethylpropyl)-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-hydroxy-1-oxo-2-[[oxo-(2-quinoxalinyl)methyl]amino]butyl]amino]-4-phenylbutyl]butanediamide
  • (Hydroxyethyl)amidosuccinoyl deriv. 24
  • (R)-2-tert-Butyl-N4-(1-ethyl-propyl)-N1-((2R,3S)-2-hydroxy-3-{(S)-3-hydroxy-2-[(1-quinoxalin-2-yl-methanoyl)-amino]-butanoylamino}-4-phenyl-butyl)-succinamide
  • AIDS-050409
  • AIDS050409

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0561 0.2068 0.3561
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Loa Loa (eye worm) hypothetical protein 0.0031 0.002 0.0013
Loa Loa (eye worm) glutaminase 0.0286 0.1004 0.0998
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0056 0.006
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0118 0.0356 0.808
Brugia malayi intermediate filament protein 0.0028 0.0009 0.0001
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0118 0.0356 0.0349
Echinococcus granulosus neuroendocrine convertase 2 0.1765 0.6718 0.6715
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Brugia malayi celfurPC protein 0.2079 0.7932 0.793
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0155 0.0147
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0038 0.0046 0.0776
Echinococcus granulosus furin 0.2614 1 1
Loa Loa (eye worm) WD40 repeat protein 0.0066 0.0153 0.0147
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0057 0.1188
Toxoplasma gondii subtilisin SUB6 0.0118 0.0356 0.8543
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0118 0.0356 0.808
Brugia malayi Peptidase family M1 containing protein 0.0038 0.0046 0.0038
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0046 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0046 0.0037
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0278 0.0973 0.0965
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0057 0.0061
Echinococcus multilocularis neuropeptide s receptor 0.1016 0.3825 0.4817
Toxoplasma gondii subtilisin SUB12 0.0134 0.0416 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.008 0.0207 0.0201
Entamoeba histolytica hypothetical protein 0.0039 0.0049 0.3267
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Giardia lamblia High cysteine membrane protein Group 2 0.0876 0.3282 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Brugia malayi Glycosyl hydrolases family 31 protein 0.0184 0.0609 0.0601
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.068 0.2525 0.4348
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0118 0.0356 0.3244
Schistosoma mansoni bromodomain containing protein 0.0071 0.0175 0.0167
Echinococcus granulosus Furin 1 0.068 0.2525 0.2518
Schistosoma mansoni alpha glucosidase 0.0041 0.0057 0.0048
Brugia malayi Bromodomain containing protein 0.0043 0.0066 0.0058
Echinococcus granulosus lysosomal alpha glucosidase 0.0184 0.0609 0.0601
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0049 0.0052
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0049 0.0041
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.068 0.2525 0.4348
Loa Loa (eye worm) hypothetical protein 0.019 0.0635 0.0629
Loa Loa (eye worm) subtilase 0.0118 0.0356 0.035
Plasmodium falciparum subtilisin-like protease 3 0.0118 0.0356 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0144 0.0457 0.0787
Brugia malayi Hypothetical WD-repeat protein F21H12.1 in chromosome II 0.007 0.017 0.0162
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0057 1
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0118 0.0356 1
Schistosoma mansoni furin-1 (S08 family) 0.1204 0.455 0.4545
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0056 0.0097
Echinococcus multilocularis importin subunit beta 1 0.0031 0.002 0.0014
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0184 0.0609 0.0602
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0164 0.0157
Brugia malayi Probable ClpP-like protease 0.0082 0.0216 0.0208
Schistosoma mansoni hypothetical protein 0.0066 0.0153 0.0145
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0118 0.0356 1
Trypanosoma brucei glucosidase, putative 0.0041 0.0057 0.1105
Echinococcus multilocularis epidermal growth factor receptor 0.0136 0.0427 0.0528
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0118 0.0356 1
Toxoplasma gondii subtilisin SUB8 0.0118 0.0356 0.8543
Loa Loa (eye worm) hypothetical protein 0.007 0.017 0.0164
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0118 0.0356 0.3244
Loa Loa (eye worm) proprotein convertase 2 0.068 0.2525 0.252
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0057 0.0049
Toxoplasma gondii SPRY domain-containing protein 0.0037 0.0044 0.0865
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Mycobacterium ulcerans glutaminase 0.0286 0.1004 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0332 0.1182 0.1176
Plasmodium falciparum subtilisin-like protease 1 0.0118 0.0356 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0057 0.0098
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0036 0.0038 0.0037
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0216 0.5089
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.0356 0.0614
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0038 0.0046 0.0237
Schistosoma mansoni hypothetical protein 0.0056 0.0115 0.0106
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0046 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Loa Loa (eye worm) hypothetical protein 0.0138 0.0433 0.0426
Onchocerca volvulus Huntingtin homolog 0.0138 0.0433 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0046 0.0037
Plasmodium vivax subtilisin-like protease 1 0.0118 0.0356 1
Leishmania major subtilisin-like serine peptidase 0.0118 0.0356 0.8429
Loa Loa (eye worm) TK/EGFR protein kinase 0.0136 0.0427 0.042
Echinococcus granulosus set1:ash2 histone methyltransferase complex 0.0041 0.0056 0.0048
Echinococcus multilocularis snurportin 1 0.0332 0.1182 0.1481
Trypanosoma brucei Aminopeptidase M1, putative 0.0038 0.0046 0.0776
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0038 0.0731
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0057 0.0098
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Echinococcus granulosus geminin 0.0183 0.0605 0.0597
Schistosoma mansoni alpha-glucosidase 0.0158 0.051 0.0502
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0057 0.0048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.1529 0.5807 0.7318
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Schistosoma mansoni glutaminase 0.0286 0.1004 0.0996
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0057 0.0098
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.068 0.2525 0.4348
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.0356 0.0614
Brugia malayi hypothetical protein 0.0138 0.0433 0.0425
Echinococcus multilocularis membrane bound transcription factor site 1 0.0118 0.0356 0.0439
Onchocerca volvulus 0.0066 0.0153 0.3544
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0038 0.0046 0.0037
Schistosoma mansoni hypothetical protein 0.0183 0.0605 0.0597
Brugia malayi Peptidase family M1 containing protein 0.0129 0.0396 0.0389
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0038 0.0046 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.0356 0.0614
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0038 0.0855
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0057 0.0098
Brugia malayi Bromodomain containing protein 0.0084 0.0226 0.0218
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0057 0.0098
Toxoplasma gondii subtilisin SUB5 0.0118 0.0356 0.8543
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0047 0.0082 0.0073
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 0.5
Plasmodium vivax importin-beta 2, putative 0.0031 0.002 0.0321
Schistosoma mansoni lipoxygenase 0.0123 0.0376 0.0368
Onchocerca volvulus Huntingtin homolog 0.0138 0.0433 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0056 0.137
Loa Loa (eye worm) hypothetical protein 0.0115 0.0345 0.0339
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0046 0.0047
Trypanosoma brucei subtilisin peptidase 0.0118 0.0356 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0104 0.0301 0.0295
Brugia malayi jmjC domain containing protein 0.0066 0.0155 0.0148
Brugia malayi Will die slowly protein 0.0066 0.0153 0.0146
Loa Loa (eye worm) aminopeptidase N 0.0038 0.0046 0.0039
Trichomonas vaginalis retinoblastoma binding protein, putative 0.007 0.017 0.0293
Schistosoma mansoni importin beta-1 0.0031 0.002 0.0011
Loa Loa (eye worm) hypothetical protein 0.0048 0.0085 0.0079
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.1529 0.5807 0.5803
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0038 0.0046 0.0047
Brugia malayi Subtilase family protein 0.0118 0.0356 0.0349
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.068 0.2525 0.4348
Toxoplasma gondii subtilisin SUB1 0.0118 0.0356 0.8543
Plasmodium vivax subtilisin-like protease 2, putative 0.0118 0.0356 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.0155 0.0147
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0216 0.0261
Toxoplasma gondii subtilisin SUB10 0.0118 0.0356 0.8543
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0009 0.0001
Echinococcus multilocularis set1:ash2 histone methyltransferase complex 0.0041 0.0056 0.006
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0057 0.0098
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.0356 0.0614
Echinococcus multilocularis 0.2079 0.7932 1
Onchocerca volvulus 0.0028 0.0009 0.0194
Loa Loa (eye worm) hypothetical protein 0.0138 0.0433 0.0426
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0216 0.0207
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.0416 0.3863
Loa Loa (eye worm) SPRY domain-containing protein 0.0037 0.0044 0.0037
Onchocerca volvulus 0.0118 0.0356 0.8237
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0009 0.0002
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0118 0.0356 0.0348
Loa Loa (eye worm) hypothetical protein 0.0118 0.0356 0.035
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0118 0.0356 0.808
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0038 0.0046 0.02
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.068 0.2525 0.4348
Schistosoma mansoni site-1 peptidase (S08 family) 0.0118 0.0356 0.0348
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0038 0.0552
Trichomonas vaginalis glutaminase, putative 0.0286 0.1004 0.1728
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0118 0.0356 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0134 0.0416 0.0408
Echinococcus granulosus survival motor neuron protein 1 0.0273 0.0954 0.0946
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0057 0.0098
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.0356 0.0614
Brugia malayi hypothetical protein 0.0039 0.0049 0.0041
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.068 0.2525 0.4348
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0057 0.005
Onchocerca volvulus 0.0129 0.0396 0.9159
Plasmodium falciparum SPRY domain, putative 0.0041 0.0056 0.137
Trichomonas vaginalis WD repeat domain, putative 0.0066 0.0153 0.0264
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0118 0.0356 0.0439
Trypanosoma cruzi subtilisin peptidase 0.0118 0.0356 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0107 0.2826
Brugia malayi hypothetical protein 0.0038 0.0046 0.0038
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 0.5956
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.2614 1 1
Brugia malayi jmjC domain containing protein 0.0068 0.0164 0.0156
Mycobacterium leprae Possible secreted protease 0.0118 0.0356 1
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0535 0.1967 0.3388
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 0.1774
Loa Loa (eye worm) hypothetical protein 0.0091 0.025 0.0244
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Schistosoma mansoni alpha-glucosidase 0.0158 0.051 0.0502
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Echinococcus multilocularis wd40 repeat 0.007 0.017 0.0204
Schistosoma mansoni tyrosine kinase 0.0136 0.0427 0.0418
Loa Loa (eye worm) hypothetical protein 0.0028 0.0009 0.0002
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.0164 0.0155
Brugia malayi proprotein convertase 2 0.1765 0.6718 0.6715
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Schistosoma mansoni trithorax protein ash2 0.0041 0.0056 0.0048
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0057 0.0494
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0044 0.0075
Echinococcus multilocularis Furin 1 0.068 0.2525 0.3176
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0118 0.0356 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0046 0.0047
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0164 0.0155
Brugia malayi Augmenter of liver regeneration 0.0036 0.0038 0.003
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0107 0.0124
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0057 0.0586
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.0376 0.0368
Entamoeba histolytica hypothetical protein 0.0039 0.0049 0.3267
Loa Loa (eye worm) hypothetical protein 0.0082 0.0216 0.0209
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.0609 0.0757
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0118 0.0356 0.3244
Echinococcus multilocularis geminin 0.0183 0.0605 0.0753
Loa Loa (eye worm) hypothetical protein 0.0046 0.0077 0.007
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0118 0.0356 0.808
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0038 0.0046 0.02
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0134 0.0416 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0066 0.006
Schistosoma mansoni retinoblastoma binding protein 0.007 0.017 0.0162
Onchocerca volvulus 0.0028 0.0009 0.0194
Schistosoma mansoni survival motor neuron protein 0.0056 0.0115 0.0106
Trichomonas vaginalis conserved hypothetical protein 0.007 0.017 0.0293
Schistosoma mansoni lipoxygenase 0.0086 0.0233 0.0225
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0057 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Echinococcus multilocularis survival motor neuron protein 1 0.0273 0.0954 0.1193
Echinococcus multilocularis neuropeptide receptor A26 0.1016 0.3825 0.4817
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0107 0.0098
Schistosoma mansoni site-1 peptidase (S08 family) 0.0118 0.0356 0.0348
Toxoplasma gondii subtilisin SUB11 0.0118 0.0356 0.8543
Toxoplasma gondii subtilisin SUB9 0.0118 0.0356 0.8543
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0115 0.0107
Brugia malayi RNA, U transporter 1 0.0088 0.0241 0.0233
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0118 0.0356 0.0348
Toxoplasma gondii subtilisin SUB4 0.0118 0.0356 0.8543
Loa Loa (eye worm) hepatopoietin HPO2 0.0036 0.0038 0.0032
Onchocerca volvulus 0.0106 0.031 0.7154
Trypanosoma cruzi aminopeptidase, putative 0.0038 0.0046 0.0237
Echinococcus granulosus wd40 repeat 0.007 0.017 0.0162
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0046 0.0037
Onchocerca volvulus 0.0056 0.0115 0.2644
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0118 0.0356 1
Trichomonas vaginalis hypothetical protein 0.0535 0.1967 0.3388
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.0376 0.0464
Echinococcus granulosus neuropeptide s receptor 0.1016 0.3825 0.382
Brugia malayi Importin beta-1 subunit 0.0031 0.002 0.0012
Toxoplasma gondii subtilisin SUB7 0.0118 0.0356 0.8543
Toxoplasma gondii aldehyde dehydrogenase 0.0134 0.0416 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0216 0.0207
Echinococcus granulosus epidermal growth factor receptor 0.0136 0.0427 0.0418
Loa Loa (eye worm) hypothetical protein 0.1111 0.4193 0.4189
Echinococcus multilocularis neuroendocrine convertase 2 0.1765 0.6718 0.8468
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.0416 0.0408
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0144 0.0457 0.0449
Plasmodium vivax subtilisin-like serine protease, putative 0.0118 0.0356 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.0155 0.0185
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0134 0.0416 0.0514
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0038 0.0855
Brugia malayi neuroendocrine convertase 1 precursor 0.1929 0.7353 0.7351
Echinococcus multilocularis protein will die slowly 0.0066 0.0153 0.0183
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1529 0.5807 1
Toxoplasma gondii subtilisin SUB2 0.0118 0.0356 0.8543
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0159 0.0151
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0049 0.0041
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Trypanosoma brucei Aminopeptidase M1, putative 0.0038 0.0046 0.0776
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0057 0.0098
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.0609 0.0757
Loa Loa (eye worm) SPRY domain-containing protein 0.0041 0.0056 0.005
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0046 0.0037
Loa Loa (eye worm) hypothetical protein 0.2614 1 1
Schistosoma mansoni hypothetical protein 0.0332 0.1182 0.1174
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 1
Schistosoma mansoni hypothetical protein 0.0183 0.0605 0.0597
Echinococcus granulosus aminopeptidase N 0.0129 0.0396 0.0388
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Brugia malayi follicle stimulating hormone receptor 0.0276 0.0964 0.0957
Trypanosoma cruzi Aminopeptidase M1, putative 0.0038 0.0046 0.0237
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0036 0.0038 0.003
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Brugia malayi glutaminase DH11.1 0.0286 0.1004 0.0996
Loa Loa (eye worm) glutaminase 2 0.0286 0.1004 0.0998
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0216 0.1774
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0057 0.0098
Echinococcus granulosus neuropeptide receptor A26 0.1016 0.3825 0.382
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Echinococcus granulosus membrane bound transcription factor site 1 0.0118 0.0356 0.0348
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Brugia malayi SPRY domain containing protein 0.0041 0.0056 0.0048
Echinococcus multilocularis aminopeptidase N 0.0129 0.0396 0.0489
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0118 0.0356 0.0349
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0038 0.0046 0.0079
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1528 0.5802 0.5798
Onchocerca volvulus 0.0038 0.0046 0.1054
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.0155 0.0185
Entamoeba histolytica hypothetical protein 0.0039 0.0049 0.3267
Schistosoma mansoni hypothetical protein 0.0535 0.1967 0.1961
Echinococcus granulosus snurportin 1 0.0332 0.1182 0.1174
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0057 0.0586
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0276 0.0964 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0056 0.0097
Entamoeba histolytica hypothetical protein 0.0039 0.0049 0.3267
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0216 0.5956
Loa Loa (eye worm) endoprotease bli-4 0.2614 1 1
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0561 0.2068 0.3561
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0009 0.0002
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0056 0.0047
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.0416 0.3863
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.0416 0.0408
Schistosoma mansoni hypothetical protein 0.0039 0.0049 0.0041
Echinococcus granulosus protein will die slowly 0.0066 0.0153 0.0145
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0038 0.0731
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0216 0.5956
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0159 0.019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.0416 0.3863
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0216 0.5089
Echinococcus granulosus importin subunit beta 1 0.0031 0.002 0.0011
Brugia malayi hypothetical protein 0.0273 0.0954 0.0947
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0118 0.0356 0.0614
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0134 0.0416 1
Brugia malayi Furin-like cysteine rich region family protein 0.0136 0.0427 0.0419
Plasmodium falciparum subtilisin-like protease 2 0.0118 0.0356 1
Plasmodium falciparum importin beta, putative 0.0031 0.002 0.0321
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1967 0.3388
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.002 0.0274
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1529 0.5807 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.068 0.2525 0.2518
Loa Loa (eye worm) hypothetical protein 0.0273 0.0954 0.0948
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0164 0.0155

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 13 nM Inhibitory concentration against HIV-1 strain 111B in acutely infected C8166 T cells ChEMBL. 9216835
IC50 (binding) = 3 nM Inhibitory concentration against recombinant HIV-1 protease expressed in Escherichia coli was tested by HPLC based assay ChEMBL. 9216835
IC50 (binding) = 135 nM Inhibitory concentration against recombinant HIV-2 protease expressed in Escherichia coli was tested by HPLC based assay ChEMBL. 9216835

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.