TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 707.964 | Formula: C36H61N5O7S
H donors: 6 H acceptors: 6 LogP: 5.19 Rotable bonds: 26
Rule of 5 violations (Lipinski): 3
SMILES: CSCC(C(=O)N[C@H](C(CC(C(=O)NC(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-/m0/s1
InChiKey: MWJGDTZPZCVPJM-PBMXFAJYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

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 mansoni	memapsin-2 (A01 family)	Get druggable targets OG5_135830	All targets in OG5_135830
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

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 %

Ranking Plot

Putative Targets List

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

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 50.1 nM	Binding affinity for human brain memapsin 2 beta-Secretase (BACE)	ChEMBL.	12747779
Ki (binding)	= 50.1 nM	Binding affinity against Beta-secretase	ChEMBL.	15341936
Ki (binding)	= 50.1 nM	Binding affinity for human brain memapsin 2 beta-Secretase (BACE)	ChEMBL.	12747779
Ki (binding)	= 50.1 nM	Binding affinity against Beta-secretase	ChEMBL.	15341936

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

ChEMBL: CHEMBL65752

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 105832