Detailed information for compound 1189459

Basic information

Technical information
  • Name: Unnamed compound
  • 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-GEBCXBKHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Human rhinovirus sp. Human rhinovirus A 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
Trypanosoma brucei variant surface glycoprotein (VSG), putative Human immunodeficiency virus type 1 protease   99 aa 80 aa 27.5 %
Mycobacterium leprae Hypothetical protein Human immunodeficiency virus type 1 protease   99 aa 86 aa 27.9 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Echinococcus multilocularis Chromobox protein 3 Human immunodeficiency virus type 1 protease   99 aa 95 aa 28.4 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
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 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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