TDR Targets

Basic information

Technical information

TDR Targets ID: 420841
Name: 5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5 -dioxopyrazolidin-4-ylidene]methyl]furan-2-yl ]benzoic acid
MW: 522.132 | Formula: C21H11BrCl2N2O5
H donors: 2 H acceptors: 4 LogP: 5.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: Brc1ccc(c(c1)C(=O)O)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)Cl
InChi: 1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9-
InChiKey: BCBVPTZIDSXEEJ-DHDCSXOGSA-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

5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid
5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-furyl]benzoic acid
5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid
AN-465/40811452

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Shikimate kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Chlamydia trachomatis	shikimate kinase	Get druggable targets OG5_130547	All targets in OG5_130547
Mycobacterium leprae	Shikimate kinase AroK (SK)	Get druggable targets OG5_130547	All targets in OG5_130547
Mycobacterium tuberculosis	Shikimate kinase AroK (SK)	Get druggable targets OG5_130547	All targets in OG5_130547
Mycobacterium ulcerans	shikimate kinase	Get druggable targets OG5_130547	All targets in OG5_130547

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Treponema pallidum	bifunctional methionine sulfoxide reductase B/A protein	Shikimate kinase	162 aa	135 aa	23.7 %
Plasmodium falciparum	adenylate kinase-like protein 1	Shikimate kinase	162 aa	136 aa	24.3 %
Schistosoma mansoni	signal recognition particle 54 kD protein	Shikimate kinase	162 aa	145 aa	21.4 %
Candida albicans	similar to S. cerevisiae ARO1 pentafunctional aromatic amino acid family biosynthesis protein	Shikimate kinase	162 aa	150 aa	25.3 %
Candida albicans	similar to S. cerevisiae ARO1 pentafunctional aromatic amino acid family biosynthesis protein	Shikimate kinase	162 aa	150 aa	25.3 %
Leishmania braziliensis	nucleotide binding protein-like protein	Shikimate kinase	162 aa	132 aa	28.0 %
Schistosoma mansoni	hypothetical protein	Shikimate kinase	162 aa	150 aa	23.3 %
Onchocerca volvulus		Shikimate kinase	162 aa	152 aa	25.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0097	0	0.5
Brugia malayi	Serotonin receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0097	0	0.5
Schistosoma mansoni	hypothetical protein	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0097	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0097	0	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0097	0	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0097	0	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	myosin xvIII	0.0097	0	0.5
Echinococcus granulosus	sex peptide receptor	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	Dopamine receptor	0.0097	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0097	0	0.5
Brugia malayi	RE15519p	0.0097	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0097	0	0.5
Echinococcus multilocularis	serotonin receptor	0.0097	0	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0097	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0097	0	0.5
Brugia malayi	Dopamine receptor protein 1	0.0097	0	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0097	0	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Brugia malayi	putative neuropeptide receptor	0.0097	0	0.5
Echinococcus granulosus	orexin receptor type 2	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	AKH receptor	0.0097	0	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0097	0	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0097	0	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	adenoreceptor	0.0097	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0097	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0097	0	0.5
Mycobacterium tuberculosis	Shikimate kinase AroK (SK)	0.0208	1	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0097	0	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0097	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0097	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0097	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0097	0	0.5
Schistosoma mansoni	histamine h1 receptor	0.0097	0	0.5
Echinococcus multilocularis	serotonin receptor	0.0097	0	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0097	0	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0097	0	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0097	0	0.5
Echinococcus granulosus	allatostatin A receptor	0.0097	0	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0097	0	0.5
Brugia malayi	ORL1-like opioid receptor	0.0097	0	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0097	0	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.0097	0	0.5
Brugia malayi	neuropeptide F receptor	0.0097	0	0.5
Mycobacterium leprae	Shikimate kinase AroK (SK)	0.0208	1	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0097	0	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Brugia malayi	G-protein coupled receptor	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0097	0	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0097	0	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0097	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0097	0	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0097	0	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0097	0	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Brugia malayi	Melatonin receptor type 1A	0.0097	0	0.5
Schistosoma mansoni	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0097	0	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0097	0	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0097	0	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0097	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0097	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	serotonin receptor	0.0097	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	sulfakinin receptor protein	0.0097	0	0.5
Schistosoma mansoni	amine GPCR	0.0097	0	0.5
Brugia malayi	larval opioid receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus multilocularis	sex peptide receptor	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	G-protein coupled receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.0097	0	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Echinococcus granulosus	hypothetical protein	0.0097	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0097	0	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0097	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0097	0	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0097	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Brugia malayi	GnHR receptor homolog	0.0097	0	0.5
Schistosoma mansoni	amine GPCR	0.0097	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0097	0	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0097	0	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0097	0	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0097	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0097	0	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0097	0	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0097	0	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0097	0	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0097	0	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0097	0	0.5
Brugia malayi	Dopamine receptor protein 2	0.0097	0	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0097	0	0.5
Brugia malayi	Serotonin receptor	0.0097	0	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0097	0	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0097	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	somatostatin receptor	0.0097	0	0.5
Mycobacterium ulcerans	shikimate kinase	0.0208	1	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0097	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0097	0	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0097	0	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0097	0	0.5
Brugia malayi	G protein-coupled receptor	0.0097	0	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0097	0	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0097	0	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0097	0	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0097	0	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0097	0	0.5
Schistosoma mansoni	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0097	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0097	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0097	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0097	0	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0097	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0097	0	0.5
Echinococcus multilocularis	somatostatin receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0097	0	0.5
Echinococcus granulosus	fmrfamide receptor	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Schistosoma mansoni	amine GPCR	0.0097	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0097	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	neuropeptide F receptor	0.0097	0	0.5
Schistosoma mansoni	amine GPCR	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Brugia malayi	hypothetical protein	0.0097	0	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0097	0	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0097	0	0.5
Schistosoma mansoni	amine GPCR	0.0097	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0097	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0097	0	0.5
Onchocerca volvulus		0.0097	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0097	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.4 uM	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay	ChEMBL.	17098431
IC50 (binding)	= 6.4 uM	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay	ChEMBL.	17098431
Kd (binding)	= 3.74 uM	Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assay	ChEMBL.	17098431
Kd (binding)	= 3.74 uM	Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assay	ChEMBL.	17098431
Ki (binding)	= 2.19 uM	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay	ChEMBL.	17098431
Ki (binding)	= 2.19 uM	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay	ChEMBL.	17098431
Ki (binding)	= 7.92 uM	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double coupled assay	ChEMBL.	17098431
Ki (binding)	= 7.92 uM	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double coupled assay	ChEMBL.	17098431

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: CHEMBL376902
PubChem: 1797640

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 420841