Detailed information for compound 158379

Basic information

Technical information
  • TDR Targets ID: 158379
  • Name: tert-butyl N-[(2S)-1-[[(2R)-1-[[(4S,5S,7R)-8- [[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2- yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4 -yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl] amino]-3-methyl-1-oxobutan-2-yl]carbamate
  • MW: 707.964 | Formula: C36H61N5O7S
  • H donors: 6 H acceptors: 6 LogP: 5.19 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CSC[C@@H](C(=O)N[C@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C)C)O)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
  • InChi: 1S/C36H61N5O7S/c1-21(2)17-26(38-32(44)27(20-49-11)39-34(46)30(23(5)6)41-35(47)48-36(8,9)10)28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24-,26+,27+,28+,29+,30+/m1/s1
  • InChiKey: MWJGDTZPZCVPJM-MFHFOAAOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl N-[(1S)-1-[[(1R)-2-[[(1S,2S,4R)-5-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-1-isobutyl-4-methyl-5-oxo-pentyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamate
  • N-[(1S)-1-[[[(1R)-2-[[(1S,2S,4R)-5-[[(1S)-1-[(benzylamino)-oxomethyl]-2-methylpropyl]amino]-2-hydroxy-1-isobutyl-4-methyl-5-oxopentyl]amino]-1-[(methylthio)methyl]-2-oxoethyl]amino]-oxomethyl]-2-methylpropyl]carbamic acid tert-butyl ester
  • tert-butyl N-[(2S)-1-[[(2R)-1-[[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-8-oxo-octan-4-yl]amino]-3-methylsulfanyl-1-oxo-propan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamate
  • N-[(1S)-1-[[(1R)-2-[[(1S,2S,4R)-5-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-1-isobutyl-5-keto-4-methyl-pentyl]amino]-2-keto-1-[(methylthio)methyl]ethyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester
  • tert-butyl N-[(2S)-1-[[(2R)-1-[[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-8-oxooctan-4-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
  • tert-butyl N-[(1S)-1-[[(1R)-2-[[(1S,2S,4R)-2-hydroxy-1-isobutyl-4-methyl-5-[[(1S)-2-methyl-1-(phenylmethylcarbamoyl)propyl]amino]-5-oxo-pentyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamate
  • N-[(1S)-1-[[[(1R)-2-[[(1S,2S,4R)-2-hydroxy-1-isobutyl-4-methyl-5-[[(1S)-2-methyl-1-[oxo-(phenylmethylamino)methyl]propyl]amino]-5-oxopentyl]amino]-1-[(methylthio)methyl]-2-oxoethyl]amino]-oxomethyl]-2-methylpropyl]carbamic acid tert-butyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens beta-site APP-cleaving enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative Get druggable targets OG5_135830 All targets in OG5_135830
Schistosoma mansoni memapsin-2 (A01 family) Get druggable targets OG5_135830 All targets in OG5_135830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin VII beta-site APP-cleaving enzyme 1 401 aa 352 aa 21.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cysteine protease 0.1304 0.5229 0.522
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0033 0.0007
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0624 0.2436 0.2422
Brugia malayi Cathepsin L-like precursor 0.1304 0.5229 0.522
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0026 0.0006
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Giardia lamblia Cathepsin B precursor 0.0967 0.3843 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.1086 0.2062
Echinococcus granulosus cathepsin L 0.0704 0.2766 0.2752
Onchocerca volvulus 0.0295 0.1086 0.1949
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0295 0.1086 0.2062
Entamoeba histolytica cysteine protease, putative 0.1304 0.5229 1
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Echinococcus granulosus cathepsin L cysteine proteinase 0.1304 0.5229 0.522
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2466 1 1
Schistosoma mansoni cathepsin S (C01 family) 0.0295 0.1086 0.1063
Brugia malayi RNA binding protein 0.0067 0.0149 0.013
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Entamoeba histolytica cysteine proteinase, putative 0.0704 0.2766 0.5265
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0704 0.2766 0.528
Entamoeba histolytica cysteine protease, putative 0.0295 0.1086 0.2037
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0124
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0149 0.0149
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0624 0.2436 0.2422
Brugia malayi Cathepsin L-like precursor 0.0409 0.1552 0.1536
Brugia malayi cathepsin F-like cysteine proteinase 0.0409 0.1552 0.1536
Entamoeba histolytica cysteine proteinase, putative 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0295 0.1086 0.2062
Brugia malayi Cathepsin L-like precursor 0.1304 0.5229 0.522
Giardia lamblia Cathepsin B precursor 0.0967 0.3843 1
Brugia malayi Papain family cysteine protease containing protein 0.0295 0.1086 0.1068
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0295 0.1086 0.1063
Brugia malayi Cathepsin L-like precursor 0.1304 0.5229 0.522
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0295 0.1086 0.2062
Loa Loa (eye worm) hypothetical protein 0.0895 0.355 0.355
Brugia malayi cathepsin L-like cysteine proteinase 0.0295 0.1086 0.1068
Loa Loa (eye worm) cysteine protease 0.1304 0.5229 0.5229
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0967 0.3843 0.3093
Onchocerca volvulus 0.0895 0.355 0.6736
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1304 0.5229 0.522
Brugia malayi cathepsin Z-like cysteine proteinase 0.0295 0.1086 0.1068
Schistosoma mansoni cathepsin F (C01 family) 0.1304 0.5229 0.5217
Schistosoma mansoni memapsin-2 (A01 family) 0.0521 0.2012 0.1991
Echinococcus granulosus cathepsin L cysteine protease 0.0704 0.2766 0.2752
Brugia malayi cathepsin F-like cysteine proteinase 0.0295 0.1086 0.1068
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0149 0.0149
Brugia malayi Papain family cysteine protease containing protein 0.0295 0.1086 0.1068
Plasmodium vivax vivapain-3 0.0704 0.2766 0.4054
Loa Loa (eye worm) hypothetical protein 0.0895 0.355 0.355
Echinococcus granulosus tumor protein p63 0.035 0.1311 0.1294
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0295 0.1086 0.2062
Entamoeba histolytica cysteine proteinase, putative 0.0704 0.2766 0.5265
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0295 0.1086 0.2062
Onchocerca volvulus 0.1304 0.5229 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0295 0.1086 0.1068
Trypanosoma cruzi cysteine peptidase, putative 0.1304 0.5229 0.4648
Loa Loa (eye worm) cathepsin B 0.0967 0.3843 0.3843
Schistosoma mansoni cathepsin F (C01 family) 0.0895 0.355 0.3533
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Echinococcus multilocularis cathepsin L 0.0295 0.1086 0.1068
Brugia malayi Papain family cysteine protease containing protein 0.1304 0.5229 0.522
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Echinococcus multilocularis cathepsin L cysteine protease 0.1304 0.5229 0.522
Onchocerca volvulus 0.1304 0.5229 1
Brugia malayi cathepsin L precursor 0.0295 0.1086 0.1068
Brugia malayi Papain family cysteine protease containing protein 0.0295 0.1086 0.1068
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0295 0.1086 0.2062
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0124
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0704 0.2766 0.528
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0295 0.1086 0.2062
Trypanosoma cruzi cysteine peptidase, putative 0.0704 0.2766 0.1884
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0295 0.1086 0.1086
Loa Loa (eye worm) hypothetical protein 0.0409 0.1552 0.1552
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Echinococcus multilocularis cathepsin L cysteine protease 0.1304 0.5229 0.522
Plasmodium vivax vivapain-2 0.1304 0.5229 1
Entamoeba histolytica cysteine protease, putative 0.0295 0.1086 0.2037
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Loa Loa (eye worm) hypothetical protein 0.2466 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0295 0.1086 0.1063
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Onchocerca volvulus Cathepsin F homolog 0.1304 0.5229 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.1086 0.1086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0895 0.355 0.2764
Schistosoma mansoni inhibitor of apoptosis protein 0.0624 0.2436 0.2417
Leishmania major cysteine peptidase A (CPA) 0.1304 0.5229 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.1304 0.5229 1
Trypanosoma cruzi cysteine peptidase, putative 0.1304 0.5229 0.4648
Brugia malayi fibroinase precursor 0.0295 0.1086 0.1068
Loa Loa (eye worm) hypothetical protein 0.0895 0.355 0.355
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0295 0.1086 0.1063
Trypanosoma cruzi cruzipain precursor, putative 0.1304 0.5229 0.4648
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0295 0.1086 0.2062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0895 0.355 0.6782
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0033 0.0007
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Entamoeba histolytica cysteine proteinase 2 0.0704 0.2766 0.5265
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2466 1 1
Onchocerca volvulus 0.1304 0.5229 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0295 0.1086 0.1086
Trypanosoma cruzi cysteine peptidase, putative 0.0409 0.1552 0.0523
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0026 0.0006
Schistosoma mansoni cathepsin s 0.0409 0.1552 0.1531
Brugia malayi Papain family cysteine protease containing protein 0.0704 0.2766 0.2752
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0295 0.1086 0.1063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0295 0.1086 0.1068
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0295 0.1086 0.2062
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0124
Echinococcus granulosus tar DNA binding protein 0.0067 0.0149 0.013
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1304 0.5229 0.5229
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2466 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0409 0.1552 0.0523
Loa Loa (eye worm) hypothetical protein 0.0624 0.2436 0.2436
Schistosoma mansoni hypothetical protein 0.0624 0.2436 0.2417
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0704 0.2766 0.2747
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0624 0.2436 0.2422
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2466 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0704 0.2766 0.2747
Echinococcus granulosus inhibitor of apoptosis protein 0.0624 0.2436 0.2422
Echinococcus multilocularis inhibitor of apoptosis protein 0.0624 0.2436 0.2422
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1304 0.5229 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0295 0.1086 0.1063
Toxoplasma gondii cathepsin B 0.0967 0.3843 0.6654
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0295 0.1086 0.1063
Brugia malayi Cathepsin L-like precursor 0.0895 0.355 0.3537
Echinococcus granulosus cathepsin l cysteine peptidase 0.1304 0.5229 0.522
Echinococcus multilocularis cysteine protease 0.1304 0.5229 0.522
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0083 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0124
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0841 0.3326 0.3313
Loa Loa (eye worm) hypothetical protein 0.0051 0.0083 0.0083
Entamoeba histolytica cysteine proteinase, putative 0.0895 0.355 0.6772
Trypanosoma cruzi cysteine proteinase, putative 0.0704 0.2766 0.1884
Onchocerca volvulus 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0967 0.3843 0.4372
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1304 0.5229 1
Entamoeba histolytica hypothetical protein 0.0101 0.0289 0.0506
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Onchocerca volvulus Cathepsin L homolog 0.1304 0.5229 1
Echinococcus multilocularis cathepsin L 0.0704 0.2766 0.2752
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0295 0.1086 0.1063
Toxoplasma gondii cathepsin CPL 0.1304 0.5229 1
Onchocerca volvulus Cathepsin L homolog 0.1304 0.5229 1
Echinococcus multilocularis tumor protein p63 0.035 0.1311 0.1294
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Entamoeba histolytica cysteine proteinase, putative 0.0704 0.2766 0.5265
Loa Loa (eye worm) hypothetical protein 0.0409 0.1552 0.1552
Onchocerca volvulus 0.1304 0.5229 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.1086 0.1086
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1304 0.5229 0.522
Brugia malayi Papain family cysteine protease containing protein 0.0704 0.2766 0.2752
Giardia lamblia DNA repair protein RAD52 0.0356 0.1335 0.0906
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Echinococcus granulosus cathepsin b 0.2466 1 1
Entamoeba histolytica cysteine protease, putative 0.0295 0.1086 0.2037
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0409 0.1552 0.1552
Giardia lamblia Cathepsin B precursor 0.0967 0.3843 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0295 0.1086 0.2062
Entamoeba histolytica cysteine proteinase 1, putative 0.0704 0.2766 0.5265
Entamoeba histolytica cysteine protease, putative 0.0295 0.1086 0.2037
Brugia malayi Cathepsin L-like cysteine proteinase 0.0895 0.355 0.3537
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2466 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0295 0.1086 0.1086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0295 0.1086 0.2062
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0295 0.1086 0.2062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Plasmodium vivax vivapain-2 0.1304 0.5229 1
Trypanosoma cruzi cysteine proteinase, putative 0.0704 0.2766 0.1884
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0967 0.3843 0.7344
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0895 0.355 0.6782
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0356 0.1335 0.2517
Brugia malayi Cathepsin L-like precursor 0.1304 0.5229 0.522
Schistosoma mansoni cathepsin C 0.0295 0.1086 0.1063
Entamoeba histolytica hypothetical protein 0.0295 0.1086 0.2037
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0295 0.1086 0.2062
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0967 0.3843 0.3827
Onchocerca volvulus Deterin homolog 0.0624 0.2436 0.4573
Plasmodium falciparum cysteine proteinase falcipain 1 0.0704 0.2766 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1304 0.5229 1
Brugia malayi TAR-binding protein 0.0067 0.0149 0.013
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0295 0.1086 0.2037
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.1086 0.2062
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0409 0.1552 0.1536
Onchocerca volvulus 0.0624 0.2436 0.4573
Echinococcus granulosus cathepsin l1 0.0895 0.355 0.3537
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0624 0.2436 0.2422
Onchocerca volvulus 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0295 0.1086 0.2062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Loa Loa (eye worm) hypothetical protein 0.0295 0.1086 0.1086
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Echinococcus multilocularis cathepsin b 0.2466 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Plasmodium vivax unspecified product 0.0409 0.1552 0.1126
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0124
Schistosoma mansoni cathepsin B (C01 family) 0.0295 0.1086 0.1063
Schistosoma mansoni cathepsin F (C01 family) 0.1304 0.5229 0.5217
Loa Loa (eye worm) hypothetical protein 0.0295 0.1086 0.1086
Brugia malayi Cathepsin L-like precursor 0.0895 0.355 0.3537
Loa Loa (eye worm) fibroinase 0.1304 0.5229 0.5229
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0101 0.0289 0.0506
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0295 0.1086 0.2037
Plasmodium vivax vivapain-1 0.0704 0.2766 0.4054
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Trypanosoma cruzi cysteine peptidase, putative 0.1304 0.5229 0.4648
Loa Loa (eye worm) hypothetical protein 0.0409 0.1552 0.1552
Onchocerca volvulus 0.1304 0.5229 1
Entamoeba histolytica cysteine proteinase, putative 0.0704 0.2766 0.5265
Onchocerca volvulus Cathepsin L homolog 0.0295 0.1086 0.1949
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0149 0.013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Leishmania major cathepsin L-like protease 0.1304 0.5229 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.0149 0.0149
Echinococcus multilocularis cathepsin b 0.2466 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.1086 0.1086
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0704 0.2766 0.2747
Entamoeba histolytica cysteine protease, putative 0.0704 0.2766 0.5265
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1304 0.5229 0.5229
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0295 0.1086 0.2062
Loa Loa (eye worm) ctsf protein 0.1304 0.5229 0.5229
Trypanosoma cruzi cysteine protease, putative 0.0704 0.2766 0.1884
Echinococcus granulosus cathepsin L 0.0295 0.1086 0.1068
Echinococcus granulosus cathepsin l1 0.1304 0.5229 0.522
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1304 0.5229 1
Brugia malayi Cathepsin L-like precursor 0.1304 0.5229 0.522
Trypanosoma cruzi cysteine peptidase, putative 0.1304 0.5229 0.4648
Echinococcus granulosus cysteine protease 0.0704 0.2766 0.2752
Entamoeba histolytica cysteine protease, putative 0.0295 0.1086 0.2037
Loa Loa (eye worm) hypothetical protein 0.0295 0.1086 0.1086
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0624 0.2436 0.2417
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1304 0.5229 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0704 0.2766 0.1884
Entamoeba histolytica cysteine protease, putative 0.0295 0.1086 0.2037
Brugia malayi hypothetical protein 0.0037 0.0026 0.0006
Plasmodium vivax unspecified product 0.0704 0.2766 0.4054
Loa Loa (eye worm) hypothetical protein 0.0624 0.2436 0.2436
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Brugia malayi cathepsin L-like precursor 0.0895 0.355 0.3537
Loa Loa (eye worm) hypothetical protein 0.1304 0.5229 0.5229
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0295 0.1086 0.2062
Brugia malayi Cathepsin L-like precursor 0.1304 0.5229 0.522
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0295 0.1086 0.2062
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Entamoeba histolytica cysteine proteinase, putative 0.1304 0.5229 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0149 0.013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1304 0.5229 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1304 0.5229 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0295 0.1086 0.1063
Echinococcus granulosus cathepsin b 0.2466 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0295 0.1086 0.1063

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 50.1 nM Binding affinity for human brain memapsin 2 ChEMBL. 11520194
Ki (binding) = 50.1 nM Inhibition of BACE1 (unknown origin) ChEMBL. 17107793
Ki (binding) = 50.1 nM Binding affinity for human brain memapsin 2 ChEMBL. 11520194
Ki (binding) = 50.1 nM Inhibition of BACE1 (unknown origin) ChEMBL. 17107793

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

2 literature references were collected for this gene.

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