TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.304 | Formula: C12H10FN5OS
H donors: 3 H acceptors: 2 LogP: 1.37 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1CSc1[nH]c2c(n1)c(=O)[nH]c(n2)N
InChi: 1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)
InChiKey: DBXBVKPIQPXRBY-UHFFFAOYSA-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
Staphylococcus aureus	2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase	Starlite/ChEMBL	References
Bacteria	Bacterial dihydropteroate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	Get druggable targets OG5_133110	All targets in OG5_133110
Mycobacterium leprae	Probable2-amino-4-hydroxy-6-hydroxymethyldihydropterine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokin	Get druggable targets OG5_133110	All targets in OG5_133110
Mycobacterium tuberculosis	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase) (	Get druggable targets OG5_133110	All targets in OG5_133110

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	likely pterin binding enzyme similar to S. cerevisiae FOL1 (YNL256W) involved in folic acid and derivative biosynthesis	Bacterial dihydropteroate synthase	282 aa	313 aa	35.5 %
Plasmodium yoelii	dihydropteroate synthase, putative	Bacterial dihydropteroate synthase	282 aa	263 aa	28.9 %
Mycobacterium leprae	Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1)	Bacterial dihydropteroate synthase	282 aa	274 aa	39.1 %
Plasmodium berghei	hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase, putative	Bacterial dihydropteroate synthase	282 aa	322 aa	27.0 %
Plasmodium falciparum	hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase	Bacterial dihydropteroate synthase	282 aa	316 aa	27.5 %
Mycobacterium tuberculosis	Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2)	Bacterial dihydropteroate synthase	282 aa	270 aa	34.4 %
Plasmodium falciparum	chaperone protein ClpB1	2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase	158 aa	134 aa	23.9 %
Neospora caninum	Dihydropteroate synthase, related	Bacterial dihydropteroate synthase	282 aa	286 aa	35.7 %
Leishmania braziliensis	hypothetical protein, conserved	Bacterial dihydropteroate synthase	282 aa	233 aa	25.3 %
Chlamydia trachomatis	bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase	Bacterial dihydropteroate synthase	282 aa	267 aa	30.3 %
Plasmodium knowlesi	hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase, putative	Bacterial dihydropteroate synthase	282 aa	253 aa	28.1 %
Toxoplasma gondii	dihydropteroate synthase	Bacterial dihydropteroate synthase	282 aa	305 aa	34.1 %
Plasmodium vivax	hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative	Bacterial dihydropteroate synthase	282 aa	258 aa	27.5 %
Mycobacterium ulcerans	dihydropteroate synthase 2 FolP2	Bacterial dihydropteroate synthase	282 aa	277 aa	34.7 %
Dictyostelium discoideum	dihydro-6-hydroxymethylpterin pyrophosphokinase	Bacterial dihydropteroate synthase	282 aa	333 aa	30.3 %
Mycobacterium leprae	PROBABLE DIHYDROPTEROATE SYNTHASE 2 FOLP2 (DHPS 2) (Dihydropteroate pyrophosphorylase 2)	Bacterial dihydropteroate synthase	282 aa	270 aa	34.4 %
Candida albicans	likely pterin binding enzyme similar to S. cerevisiae FOL1 (YNL256W) involved in folic acid and derivative biosynthesis	Bacterial dihydropteroate synthase	282 aa	313 aa	35.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0071	0.0109
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0045	0.0265	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0045	0.0265	1
Brugia malayi	Dopamine receptor protein 1	0.0045	0.0265	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0045	0.0265	1
Echinococcus granulosus	g protein coupled receptor	0.0045	0.0265	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	g protein coupled receptor	0.0045	0.0265	1
Echinococcus multilocularis	allatostatin A receptor	0.0045	0.0265	1
Brugia malayi	Serotonin receptor	0.0045	0.0265	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0045	0.0265	1
Brugia malayi	sulfakinin receptor protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0045	0.0265	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0045	0.0265	1
Echinococcus granulosus	sex peptide receptor	0.0045	0.0265	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0041	0.0233	0.8692
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0045	0.0265	1
Schistosoma mansoni	amine GPCR	0.0045	0.0265	1
Mycobacterium ulcerans	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	0.1145	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0023	0.0071	0.2665
Echinococcus granulosus	biogenic amine 5HT receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Leishmania major	hypothetical protein, conserved	0.0023	0.0071	0.022
Toxoplasma gondii	LsmAD domain-containing protein	0.0023	0.0071	0.0109
Brugia malayi	G protein-coupled receptor F59B2.13	0.0045	0.0265	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0045	0.0265	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0045	0.0265	1
Brugia malayi	neuropeptide F receptor	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide receptor	0.0045	0.0265	1
Brugia malayi	G protein-coupled receptor	0.0045	0.0265	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0233	0.8692
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide Y receptor	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine receptor	0.0045	0.0265	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0265	1
Brugia malayi	ORL1-like opioid receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Brugia malayi	Dopamine receptor	0.0045	0.0265	1
Leishmania major	methionine synthase, putative	0.0278	0.2328	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0045	0.0265	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0041	0.0233	0.8692
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Schistosoma mansoni	opsin-like receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0045	0.0265	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0041	0.0233	0.8692
Echinococcus granulosus	g protein coupled receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0071	0.2065
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.002	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0045	0.0265	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0045	0.0265	1
Schistosoma mansoni	opsin-like receptor	0.0045	0.0265	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0017	0.002	0.0756
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	histamine h1 receptor	0.0045	0.0265	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0045	0.0265	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0045	0.0265	1
Mycobacterium ulcerans	B12-dependent methionine synthase	0.0278	0.2328	0.2312
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Brugia malayi	Melatonin receptor type 1A	0.0045	0.0265	1
Brugia malayi	RE15519p	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0017	0.002	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0045	0.0265	1
Schistosoma mansoni	amine GPCR	0.0045	0.0265	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0045	0.0265	1
Brugia malayi	G-protein coupled receptor	0.0045	0.0265	1
Schistosoma mansoni	neuropeptide receptor	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0045	0.0265	1
Mycobacterium ulcerans	dihydropteroate synthase 1 FolP1	0.0278	0.2328	0.2312
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus multilocularis	somatostatin receptor	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	g protein coupled receptor	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0045	0.0265	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0023	0.0071	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0045	0.0265	1
Brugia malayi	Dopamine receptor protein 2	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0045	0.0265	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0045	0.0265	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Onchocerca volvulus		0.0045	0.0265	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0233	0.8692
Schistosoma mansoni	neuropeptide receptor	0.0045	0.0265	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide s receptor	0.0045	0.0265	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0045	0.0265	1
Schistosoma mansoni	amine GPCR	0.0045	0.0265	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0045	0.0265	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Schistosoma mansoni	biogenic amine receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0045	0.0265	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Schistosoma mansoni	myosin xvIII	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide receptor A26	0.0045	0.0265	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0023	0.0071	0.0109
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0045	0.0265	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0023	0.0071	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0045	0.0265	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0041	0.0233	0.8692
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0045	0.0265	1
Schistosoma mansoni	opsin-like receptor	0.0045	0.0265	1
Echinococcus multilocularis	g protein coupled receptor	0.0045	0.0265	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0017	0.002	0.5
Echinococcus granulosus	fmrfamide receptor	0.0045	0.0265	1
Chlamydia trachomatis	bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase	0.0541	0.4655	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus multilocularis	fmrfamide receptor	0.0045	0.0265	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0017	0.002	0.5
Echinococcus granulosus	allatostatin A receptor	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0045	0.0265	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0023	0.0071	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0233	0.8692
Schistosoma mansoni	hypothetical protein	0.0045	0.0265	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0045	0.0265	1
Brugia malayi	putative neuropeptide receptor	0.0045	0.0265	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0045	0.0265	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0045	0.0265	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0045	0.0265	1
Echinococcus granulosus	neuropeptides capa receptor	0.0045	0.0265	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0045	0.0265	1
Echinococcus granulosus	somatostatin receptor	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Brugia malayi	Serotonin receptor	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Plasmodium falciparum	hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase	0.0541	0.4655	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0045	0.0265	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	serotonin receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Toxoplasma gondii	dihydropteroate synthase	0.0541	0.4655	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0045	0.0265	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0017	0.002	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0045	0.0265	1
Schistosoma mansoni	neuropeptide receptor	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Mycobacterium tuberculosis	Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1)	0.0278	0.2328	0.3016
Onchocerca volvulus		0.0045	0.0265	0.5
Brugia malayi	larval opioid receptor	0.0045	0.0265	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0041	0.0233	0.8692
Mycobacterium tuberculosis	Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2)	0.0278	0.2328	0.3016
Schistosoma mansoni	amine GPCR	0.0045	0.0265	1
Mycobacterium tuberculosis	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase) (	0.0882	0.7673	1
Plasmodium vivax	hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative	0.0541	0.4655	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0041	0.0233	0.8791
Echinococcus multilocularis	neuropeptide receptor A26	0.0045	0.0265	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.0265	1
Echinococcus multilocularis	sex peptide receptor	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	neuropeptide receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	amine GPCR	0.0045	0.0265	1
Echinococcus granulosus	neuropeptides capa receptor	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0045	0.0265	1
Brugia malayi	neuropeptide F receptor	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Echinococcus multilocularis	orexin receptor type 2	0.0045	0.0265	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.0265	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0045	0.0265	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0045	0.0265	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0045	0.0265	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0045	0.0265	0.5
Echinococcus multilocularis	serotonin receptor	0.0045	0.0265	1
Brugia malayi	AKH receptor	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0045	0.0265	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0045	0.0265	1
Echinococcus granulosus	neuropeptide Y receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus granulosus	g-protein coupled receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0045	0.0265	1
Schistosoma mansoni	adenoreceptor	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus granulosus	orexin receptor type 2	0.0045	0.0265	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0045	0.0265	1
Brugia malayi	follicle stimulating hormone receptor	0.0045	0.0265	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Brugia malayi	GnHR receptor homolog	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Mycobacterium ulcerans	dihydropteroate synthase 2 FolP2	0.0278	0.2328	0.2312
Echinococcus multilocularis	neuropeptide receptor	0.0045	0.0265	1
Onchocerca volvulus		0.0045	0.0265	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0045	0.0265	1
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.002	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0045	0.0265	1
Loa Loa (eye worm)	TYRA-2 protein	0.0045	0.0265	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0045	0.0265	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.0265	1
Brugia malayi	hypothetical protein	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	serotonin receptor	0.0045	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0265	1
Echinococcus multilocularis	g-protein coupled receptor	0.0045	0.0265	1
Brugia malayi	G-protein coupled receptor	0.0045	0.0265	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0071	0.0109
Echinococcus multilocularis	neuropeptide s receptor	0.0045	0.0265	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0045	0.0265	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0045	0.0265	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Binding affinity to AMPCPP-loaded and 15N/13C-labeled Staphylococcus aureus HPPK assessed a induction of 1H-15N chemical shift perturbations by 2D 15N-FAST-HSQC NMR spectrscopy	ChEMBL.	27094768
IC50 (binding)	= 24.88 uM	Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay	ChEMBL.	25357262
Kd (binding)	= 0.45 uM	Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP	ChEMBL.	25357262
Kd (binding)	= 4.3 uM	Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis	ChEMBL.	25357262
Kd (binding)	= 8.5 uM	Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis	ChEMBL.	25357262

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

ChEMBL: CHEMBL3359162

Bibliographic References

No literature references available for this target.

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Detailed information for compound 945004