TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 636.8 | Formula: C38H40N2O5S
H donors: 4 H acceptors: 5 LogP: 4.69 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: [O-][S+](C[C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)Cc1ccccc1)C[C@@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)Cc1ccccc1
InChi: 1S/C38H40N2O5S/c41-33-21-27-15-7-9-17-31(27)35(33)39-37(43)29(19-25-11-3-1-4-12-25)23-46(45)24-30(20-26-13-5-2-6-14-26)38(44)40-36-32-18-10-8-16-28(32)22-34(36)42/h1-18,29-30,33-36,41-42H,19-24H2,(H,39,43)(H,40,44)/t29-,30+,33-,34-,35+,36+,46?/m1/s1
InChiKey: HHSVXEFQUUMNOF-XKCOPMADSA-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
Human immunodeficiency virus 1	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
Entamoeba histolytica	retroviral aspartyl protease domain-containing protein	Protease	99 aa	102 aa	32.4 %
Entamoeba histolytica	retroviral aspartyl protease domain-containing protein	Protease	99 aa	102 aa	32.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0023	0.0069	0.009
Brugia malayi	protein-tyrosine kinase	0.0023	0.0069	0.0078
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0069	0.0377	0.0509
Onchocerca volvulus		0.0069	0.0377	0.0422
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0021	0.5
Echinococcus granulosus	neuropeptide receptor	0.0069	0.0377	0.0509
Brugia malayi	hypothetical protein	0.0035	0.0152	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	adenoreceptor	0.0069	0.0377	0.0357
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Schistosoma mansoni	biogenic amine receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0023	0.0069	0.009
Echinococcus multilocularis	neuropeptide s receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0021	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Schistosoma mansoni	peroxidasin	0.1128	0.7361	0.7355
Brugia malayi	G protein-coupled receptor	0.0069	0.0377	0.0497
Echinococcus multilocularis	neuropeptide receptor A26	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.012	0.0711	0.0966
Echinococcus granulosus	somatostatin receptor	0.0069	0.0377	0.0509
Entamoeba histolytica	hypothetical protein	0.0035	0.0152	1
Brugia malayi	putative neuropeptide receptor	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0026	0.009	0.0123
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0093	0.0072
Onchocerca volvulus		0.0069	0.0377	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	growth hormone secretagogue receptor	0.0069	0.0377	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Loa Loa (eye worm)	animal heme peroxidase	0.1128	0.7361	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0069	0.0377	0.0357
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0069	0.0377	0.0497
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0023	0.0069	0.009
Onchocerca volvulus		0.0069	0.0377	0.0422
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0069	0.0377	0.0509
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Echinococcus multilocularis	lamin dm0	0.0026	0.0093	0.0123
Brugia malayi	Animal haem peroxidase family protein	0.1128	0.7361	1
Echinococcus multilocularis	tyrosine kinase	0.0023	0.0069	0.009
Echinococcus granulosus	g-protein coupled receptor	0.0069	0.0377	0.0509
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0023	0.0069	0.009
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0093	0.0127
Echinococcus granulosus	tyrosine kinase	0.0023	0.0069	0.009
Schistosoma mansoni	myosin xvIII	0.0069	0.0377	0.0357
Echinococcus multilocularis	serotonin receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0152	0.0131
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0069	0.0377	0.0513
Echinococcus multilocularis	fmrfamide receptor	0.0069	0.0377	0.0509
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.0021	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Echinococcus multilocularis	fmrfamide receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	amine GPCR	0.0069	0.0377	0.0357
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Loa Loa (eye worm)	animal heme peroxidase	0.1128	0.7361	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0069	0.0377	0.0513
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0069	0.0078
Echinococcus granulosus	neuropeptide Y receptor	0.0069	0.0377	0.0509
Brugia malayi	G-protein coupled receptor	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Brugia malayi	sulfakinin receptor protein	0.0069	0.0377	0.0497
Loa Loa (eye worm)	melatonin receptor type 1A	0.0069	0.0377	0.0513
Onchocerca volvulus		0.0069	0.0377	0.0422
Onchocerca volvulus		0.0069	0.0377	0.0422
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Brugia malayi	ORL1-like opioid receptor	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Loa Loa (eye worm)	blistered cuticle protein 3	0.1128	0.7361	1
Brugia malayi	Animal haem peroxidase family protein	0.1128	0.7361	1
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Schistosoma mansoni	tyrosine kinase	0.0023	0.0069	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0069	0.0078
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0069	0.0377	0.0509
Echinococcus multilocularis	c src tyrosine kinase	0.0023	0.0069	0.009
Brugia malayi	Peroxidasin	0.1128	0.7361	1
Onchocerca volvulus		0.1128	0.7361	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0069	0.0377	0.0509
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0023	0.0069	0.009
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0069	0.0377	0.0357
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Brugia malayi	AKH receptor	0.0069	0.0377	0.0497
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Onchocerca volvulus	Chorion peroxidase homolog	0.1128	0.7361	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0069	0.0377	0.0509
Brugia malayi	Dopamine receptor protein 2	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0023	0.0069	0.009
Brugia malayi	SH2 domain containing protein	0.0023	0.0069	0.0078
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0023	0.0069	0.009
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0069	0.0377	0.0497
Onchocerca volvulus		0.0069	0.0377	0.0422
Schistosoma mansoni	hypothetical protein	0.0069	0.0377	0.0357
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0023	0.0069	0.009
Schistosoma mansoni	opsin-like receptor	0.0069	0.0377	0.0357
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0069	0.0377	0.0357
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0023	0.0069	0.0048
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0023	0.0069	0.009
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0021	0.0024
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0021	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0021	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0093	0.011
Echinococcus granulosus	neuropeptide FF receptor 2	0.0069	0.0377	0.0509
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0794	0.516	0.7009
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Loa Loa (eye worm)	G-protein coupled receptor	0.0069	0.0377	0.0513
Echinococcus multilocularis	lamin	0.0026	0.0093	0.0123
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Schistosoma mansoni	lamin	0.0026	0.0093	0.0072
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0069	0.0377	0.0513
Loa Loa (eye worm)	TK/ABL protein kinase	0.0023	0.0069	0.0094
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0023	0.0069	0.009
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0069	0.0377	0.0509
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.0021	0.5
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Echinococcus multilocularis	allatostatin A receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Brugia malayi	Animal haem peroxidase family protein	0.1128	0.7361	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Schistosoma mansoni	biogenic amine receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	dro:myosuppressin receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0069	0.0094
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	neuropeptide F-like receptor	0.0069	0.0377	0.0357
Brugia malayi	RE15519p	0.0069	0.0377	0.0497
Onchocerca volvulus		0.0069	0.0377	0.0422
Echinococcus granulosus	tm gpcr rhodopsin	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Loa Loa (eye worm)	animal heme peroxidase	0.1128	0.7361	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus granulosus	tyrosine protein kinase Blk	0.0023	0.0069	0.009
Entamoeba histolytica	hypothetical protein	0.0035	0.0152	1
Onchocerca volvulus	Peroxidase homolog	0.1128	0.7361	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Loa Loa (eye worm)	TYRA-2 protein	0.0069	0.0377	0.0513
Brugia malayi	putative neuropeptide receptor NPR1	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Onchocerca volvulus	Dual oxidase homolog	0.1128	0.7361	1
Echinococcus granulosus	g protein coupled receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0069	0.0377	0.0509
Echinococcus granulosus	allatostatin A receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0023	0.0069	0.009
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	opsin-like receptor	0.0069	0.0377	0.0357
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0093	0.0127
Loa Loa (eye worm)	neuropeptide F receptor	0.0069	0.0377	0.0513
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Loa Loa (eye worm)	G-protein coupled receptor	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Onchocerca volvulus		0.0069	0.0377	0.0422
Brugia malayi	neuropeptide F receptor	0.0069	0.0377	0.0497
Echinococcus multilocularis	serotonin receptor	0.0069	0.0377	0.0509
Brugia malayi	Serotonin receptor	0.0069	0.0377	0.0497
Schistosoma mansoni	histamine h1 receptor	0.0069	0.0377	0.0357
Onchocerca volvulus	Huntingtin homolog	0.012	0.0711	0.088
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0069	0.0377	0.0357
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0021	0.0012
Onchocerca volvulus		0.0069	0.0377	0.0422
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Schistosoma mansoni	tyrosine kinase	0.0023	0.0069	0.0048
Echinococcus granulosus	neuropeptide Y receptor	0.0069	0.0377	0.0509
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0023	0.0069	0.009
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0069	0.0377	0.0509
Brugia malayi	Serotonin receptor	0.0069	0.0377	0.0497
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Brugia malayi	hypothetical protein	0.1128	0.7361	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0069	0.0377	0.0422
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Echinococcus granulosus	intermediate filament protein	0.0026	0.0093	0.0123
Brugia malayi	Dopamine receptor	0.0069	0.0377	0.0497
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0023	0.0069	0.009
Echinococcus multilocularis	orexin receptor type 2	0.0069	0.0377	0.0509
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Echinococcus granulosus	c src tyrosine kinase	0.0023	0.0069	0.009
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0069	0.0377	0.0509
Schistosoma mansoni	amine GPCR	0.0069	0.0377	0.0357
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	sex peptide receptor	0.0069	0.0377	0.0509
Echinococcus granulosus	tyrosine protein kinase Srms	0.0023	0.0069	0.009
Brugia malayi	Tyrosine-protein kinase abl-1	0.0023	0.0069	0.0078
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0069	0.0377	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	TK protein kinase	0.0023	0.0069	0.0094
Onchocerca volvulus	Peroxidasin homolog	0.1128	0.7361	1
Echinococcus granulosus	orexin receptor type 2	0.0069	0.0377	0.0509
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0023	0.0069	0.009
Echinococcus multilocularis	neuropeptide Y receptor	0.0069	0.0377	0.0509
Onchocerca volvulus	Huntingtin homolog	0.012	0.0711	0.088
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Brugia malayi	SRC-1	0.0023	0.0069	0.0078
Echinococcus multilocularis	neuropeptide receptor	0.0069	0.0377	0.0509
Onchocerca volvulus	Peroxidase homolog	0.1128	0.7361	1
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0069	0.0078
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0069	0.0377	0.0509
Brugia malayi	intermediate filament protein	0.0026	0.0093	0.011
Onchocerca volvulus		0.0069	0.0377	0.0422
Schistosoma mansoni	opsin-like receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0023	0.0069	0.009
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Onchocerca volvulus		0.0069	0.0377	0.0422
Echinococcus multilocularis	g protein coupled receptor	0.0069	0.0377	0.0509
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0021	0.5
Loa Loa (eye worm)	SRC-1	0.0023	0.0069	0.0094
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0069	0.0377	0.0357
Echinococcus granulosus	biogenic amine 5HT receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0069	0.0377	0.0509
Echinococcus multilocularis	neuropeptide receptor	0.0069	0.0377	0.0509
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0021	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0012	0.0017
Onchocerca volvulus		0.0069	0.0377	0.0422
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Brugia malayi	GnHR receptor homolog	0.0069	0.0377	0.0497
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0069	0.0377	0.0509
Echinococcus multilocularis	somatostatin receptor	0.0069	0.0377	0.0509
Echinococcus granulosus	peroxidasin	0.1128	0.7361	1
Echinococcus granulosus	lamin	0.0026	0.0093	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0003	0.0004
Echinococcus granulosus	lamin dm0	0.0026	0.0093	0.0123
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0069	0.0078
Echinococcus granulosus	tm gpcr rhodopsin	0.0069	0.0377	0.0509
Brugia malayi	neuropeptide F receptor	0.0069	0.0377	0.0497
Onchocerca volvulus		0.0069	0.0377	0.0422
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Brugia malayi	Blistered cuticle protein 3	0.1128	0.7361	1
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0377	0.0357
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0023	0.0069	0.009
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0278	0.1752	0.1734
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0377	0.0357
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	hypothetical protein	0.0035	0.0152	0.0131
Echinococcus granulosus	tyrosine kinase	0.0023	0.0069	0.009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Brugia malayi	G protein-coupled receptor F59B2.13	0.0069	0.0377	0.0497
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0069	0.0377	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Onchocerca volvulus		0.1128	0.7361	1
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0377	0.0357
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Echinococcus multilocularis	peroxidasin	0.1128	0.7361	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0023	0.0069	0.009
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0021	0.0012
Schistosoma mansoni	tyrosine kinase	0.0023	0.0069	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Onchocerca volvulus		0.0026	0.0093	0.0033
Schistosoma mansoni	amine GPCR	0.0069	0.0377	0.0357
Onchocerca volvulus		0.0069	0.0377	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	hypothetical protein	0.0069	0.0377	0.0357
Echinococcus multilocularis	neuropeptide Y receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0377	0.0357
Loa Loa (eye worm)	animal heme peroxidase	0.1128	0.7361	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0152	0.0202
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus granulosus	serotonin receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	tyrosine kinase	0.0023	0.0069	0.0048
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0069	0.0377	0.0509
Entamoeba histolytica	hypothetical protein	0.0035	0.0152	1
Brugia malayi	follicle stimulating hormone receptor	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	tyrosine kinase	0.0023	0.0069	0.0048
Schistosoma mansoni	amine GPCR	0.0069	0.0377	0.0357
Echinococcus granulosus	neuropeptide s receptor	0.0069	0.0377	0.0509
Brugia malayi	larval opioid receptor	0.0069	0.0377	0.0497
Entamoeba histolytica	hypothetical protein	0.0035	0.0152	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0069	0.0078
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Brugia malayi	Animal haem peroxidase family protein	0.1128	0.7361	1
Echinococcus granulosus	neuropeptides capa receptor	0.0069	0.0377	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0069	0.0377	0.0509
Echinococcus granulosus	hypothetical protein	0.0069	0.0377	0.0509
Echinococcus multilocularis	G protein coupled receptor 139	0.0069	0.0377	0.0509
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0069	0.0377	0.0509
Schistosoma mansoni	tyrosine kinase	0.0023	0.0069	0.0048
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0069	0.0377	0.0497
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0023	0.0069	0.009
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0021	0.5
Onchocerca volvulus		0.0069	0.0377	0.0422
Echinococcus granulosus	neuropeptide receptor A26	0.0069	0.0377	0.0509
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0069	0.0377	0.0357
Schistosoma mansoni	neuropeptide F-like receptor	0.0069	0.0377	0.0357
Echinococcus granulosus	g protein coupled receptor	0.0069	0.0377	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0021	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0021	0.0024
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0069	0.0377	0.0497
Echinococcus multilocularis	g protein coupled receptor	0.0069	0.0377	0.0509
Schistosoma mansoni	neuropeptide f receptor 76f	0.0069	0.0377	0.0357
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0069	0.0377	0.0509
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0021	0.5
Onchocerca volvulus		0.0069	0.0377	0.0422
Loa Loa (eye worm)	hypothetical protein	0.012	0.0711	0.0966
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0069	0.0377	0.0357
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0021	0.0024
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0069	0.0377	0.0357
Schistosoma mansoni	hypothetical protein	0.0069	0.0377	0.0357
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0069	0.0377	0.0513
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0023	0.0069	0.009
Schistosoma mansoni	peroxidasin	0.1128	0.7361	0.7355
Schistosoma mansoni	lamin	0.0026	0.0093	0.0072
Echinococcus granulosus	g protein coupled receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.0023	0.0069	0.009
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0021	0.0024
Echinococcus granulosus	G protein coupled receptor 139	0.0069	0.0377	0.0509
Brugia malayi	Melatonin receptor type 1A	0.0069	0.0377	0.0497
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Echinococcus multilocularis	g protein coupled receptor	0.0069	0.0377	0.0509
Brugia malayi	hypothetical protein	0.0023	0.0069	0.0078
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0377	0.0357
Onchocerca volvulus		0.0026	0.0093	0.0033
Echinococcus granulosus	neuropeptides capa receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0377	0.0509
Brugia malayi	hypothetical protein	0.0069	0.0377	0.0497
Echinococcus granulosus	tyrosine protein kinase shark	0.0023	0.0069	0.009
Brugia malayi	Animal haem peroxidase family protein	0.1128	0.7361	1
Echinococcus multilocularis	musashi	0.0026	0.0093	0.0123
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Schistosoma mansoni	hypothetical protein	0.0069	0.0377	0.0357
Echinococcus granulosus	biogenic amine 5HT receptor	0.0069	0.0377	0.0509
Brugia malayi	SH2 domain containing protein	0.0023	0.0069	0.0078
Brugia malayi	Dopamine receptor protein 1	0.0069	0.0377	0.0497
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0069	0.0377	0.0357
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0069	0.0377	0.0357
Schistosoma mansoni	biogenic amine receptor	0.0069	0.0377	0.0357
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0093	0.0127
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0023	0.0069	0.009
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0069	0.0377	0.0422
Echinococcus granulosus	neuropeptide receptor	0.0069	0.0377	0.0509
Echinococcus granulosus	sex peptide receptor	0.0069	0.0377	0.0509
Onchocerca volvulus	Peroxidasin homolog	0.1128	0.7361	1
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.0021	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0069	0.0377	0.0357
Brugia malayi	hypothetical protein	0.012	0.0711	0.095
Echinococcus granulosus	dro:myosuppressin receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Brugia malayi	G-protein coupled receptor	0.0069	0.0377	0.0497
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0152	0.0202
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0069	0.0377	0.0513
Onchocerca volvulus		0.1128	0.7361	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Echinococcus multilocularis	g-protein coupled receptor	0.0069	0.0377	0.0509
Onchocerca volvulus		0.0069	0.0377	0.0422
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0069	0.009
Echinococcus granulosus	fmrfamide receptor	0.0069	0.0377	0.0509
Loa Loa (eye worm)	hypothetical protein	0.1128	0.7361	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.0513
Loa Loa (eye worm)	TK/FER protein kinase	0.0023	0.0069	0.0094
Schistosoma mansoni	amine GPCR	0.0069	0.0377	0.0357
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0021	0.0029
Echinococcus granulosus	7tm_1 domain containing protein	0.0069	0.0377	0.0509
Echinococcus granulosus	7TM GPCR rhodopsin	0.0069	0.0377	0.0509
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0069	0.0377	0.0509

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 53.1 nM	Inhibition of HIV1 recombinant protease	ChEMBL.	17822899
IC50 (binding)	= 53.1 nM	Inhibition of HIV1 recombinant protease	ChEMBL.	17822899

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 443527