TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.631 | Formula: C28H32N2OS
H donors: 0 H acceptors: 1 LogP: 5.53 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1)C
InChi: 1S/C28H32N2OS/c1-29(2)18-11-19-30(28(31)25-20-24(25)23-14-7-4-8-15-23)26-16-9-10-17-27(26)32-21-22-12-5-3-6-13-22/h3-10,12-17,24-25H,11,18-21H2,1-2H3/t24-,25+/m0/s1
InChiKey: ZUZMNLOLVUZTAD-LOSJGSFVSA-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	neuropeptide Y receptor Y2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Schistosoma mansoni	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus granulosus	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus multilocularis	G protein coupled receptor 139	Get druggable targets OG5_127863	All targets in OG5_127863

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	neuropeptide Y receptor Y2	381 aa	388 aa	20.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0009	0.0009
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0097	0.0633
Toxoplasma gondii	protein kinase, putative	0.0287	0.1398	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0052	0.0043
Plasmodium vivax	glycogen synthase kinase 3, putative	0.005	0.0193	0.0866
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0034	0.0282
Trichomonas vaginalis	threonine synthase, putative	0.0106	0.0477	1
Brugia malayi	RE18450p	0.0165	0.0775	1
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0165	0.0775	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0054	0.0019
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0165	0.0775	0.0743
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0097	0.0415
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.005	0.0193	0.1323
Entamoeba histolytica	protein kinase, putative	0.0032	0.0097	0.0625
Echinococcus granulosus	protein kinase shaggy	0.005	0.0193	0.2077
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0097	0.0633
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0165	0.0775	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0775	0.0775
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0165	0.0775	0.8657
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0097	0.0415
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0054	0.0581
Trypanosoma brucei	threonine synthase, putative	0.0026	0.0071	0.0813
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0054	0.0045
Trichomonas vaginalis	threonine dehydratase/deaminase, putative	0.0026	0.0071	0.1332
Echinococcus multilocularis	G protein coupled receptor 139	0.0188	0.0894	1
Schistosoma mansoni	neuropeptide receptor	0.0188	0.0894	0.0886
Mycobacterium leprae	Probable threonine dehydratase IlvA	0.0026	0.0071	0.0037
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0097	0.0415
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.1976	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0054	0.0045
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Trypanosoma cruzi	serine-threonine dehydratase, putative	0.0026	0.0071	0.0813
Toxoplasma gondii	hypothetical protein	0.0165	0.0775	0.5516
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0097	0.0415
Trypanosoma cruzi	threonine synthase, putative	0.0026	0.0071	0.0813
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0035	0.0117	0.141
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.005	0.0193	0.2399
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.005	0.0193	0.0193
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0165	0.0775	1
Giardia lamblia	Kinase, CMGC GSK	0.005	0.0193	0.2399
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0035	0.0117	0.141
Loa Loa (eye worm)	sugar transporter	0.0014	0.0009	0.0009
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0054	0.0026
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0165	0.0775	0.0767
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0052	0.0017
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0009	0.5
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0034	0.0282
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0052	0.0201
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.003	0.0091	0.093
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0097	0.0097
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0034	0.0282
Plasmodium vivax	hexose transporter	0.0101	0.0453	0.2092
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0052	0.0043
Loa Loa (eye worm)	hypothetical protein	0.003	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Echinococcus multilocularis	General substrate transporter	0.0087	0.038	0.4195
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.005	0.0193	0.0184
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0165	0.0775	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0054	0.0045
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0165	0.0775	0.0767
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0097	0.0415
Schistosoma mansoni	hypothetical protein	0.0019	0.0034	0.0025
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0165	0.0775	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.005	0.0193	0.0193
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0054	0.0045
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.003	0.0091	0.1075
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0062	0.0062
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0097	0.0415
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0097	0.1143
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Leishmania major	glucose transporter, lmgt1	0.0031	0.0097	0.1143
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0097	0.0633
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0019	0.0011
Leishmania major	threonine synthase, putative	0.0026	0.0071	0.0813
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Schistosoma mansoni	threonine dehydratase/deaminase	0.0026	0.0071	0.0062
Entamoeba histolytica	threonine dehydratase, putative	0.0026	0.0071	0.0272
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0165	0.0775	1
Chlamydia trachomatis	tryptophan synthase subunit beta	0.0026	0.0071	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0024	0.0195
Plasmodium falciparum	glycogen synthase kinase 3	0.005	0.0193	0.0866
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0165	0.0775	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0097	0.0415
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0034	0.0034
Entamoeba histolytica	protein kinase domain containing protein	0.005	0.0193	0.1951
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0101	0.0453	0.5015
Brugia malayi	cDNA sequence BC016226	0.0165	0.0775	1
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0165	0.0775	0.8658
Schistosoma mansoni	cysteine synthase	0.0106	0.0477	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Onchocerca volvulus	Putative fad oxidoreductase	0.0165	0.0775	1
Giardia lamblia	Kinase, CMGC GSK	0.005	0.0193	0.2399
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0034	0.0118
Trypanosoma brucei	glucose transporter 2A	0.0031	0.0097	0.1143
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0557
Trichomonas vaginalis	cysteine synthase, putative	0.0106	0.0477	1
Entamoeba histolytica	cysteine synthase A, putative	0.0106	0.0477	0.5875
Mycobacterium ulcerans	tryptophan synthase subunit beta	0.0026	0.0071	0.0062
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0052	0.0482
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0019	0.0011
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0165	0.0775	1
Schistosoma mansoni	threonine dehydratase	0.0026	0.0071	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0101	0.0453	0.0444
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0024	0.0016
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0035	0.0117	0.141
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0054	0.0049
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Mycobacterium tuberculosis	Cysteine synthase B CysM (CSASE B) (O-phosphoserine sulfhydrylase B) (O-phosphoserine (thiol)-lyase B)	0.0106	0.0477	0.0511
Trypanosoma cruzi	serine sulfhydrylase	0.0106	0.0477	0.6105
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0453	0.949
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0165	0.0775	0.3611
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0165	0.0775	0.8658
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Leishmania major	protein kinase, putative	0.0032	0.0097	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0052	0.0052
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0557
Mycobacterium ulcerans	cysteine synthase	0.0026	0.0071	0.0062
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0019	0.0011
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0031	0.0097	0.1143
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0024	0.0015
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0034	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Brugia malayi	cbs-prov protein	0.0106	0.0477	0.6105
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0165	0.0775	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0054	0.0045
Schistosoma mansoni	rab6-interacting	0.0019	0.0034	0.0025
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0097	0.1872
Trypanosoma cruzi	cysteine synthase, putative	0.0106	0.0477	0.6105
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Leishmania major	hypothetical protein, conserved	0.0165	0.0775	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0054	0.0581
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0193	0.393
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.005	0.0193	0.2077
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.003	0.0091	0.0082
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0097	0.1147
Brugia malayi	intracellular kinase	0.005	0.0193	0.2399
Trypanosoma cruzi	serine sulfhydrylase	0.0106	0.0477	0.6105
Brugia malayi	Doublecortin family protein	0.0019	0.0034	0.0326
Loa Loa (eye worm)	hypothetical protein	0.003	0.0091	0.0091
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0165	0.0775	0.5516
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0052	0.0557
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0034	0.0028
Schistosoma mansoni	protein kinase	0.0032	0.0097	0.0088
Schistosoma mansoni	NAD dehydrogenase	0.0165	0.0775	0.0767
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0193	0.393
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0165	0.0775	0.8657
Plasmodium falciparum	protein kinase 6	0.0431	0.2131	1
Mycobacterium ulcerans	cysteine synthase a CysK1	0.0106	0.0477	0.0468
Trypanosoma cruzi	serine sulfhydrylase	0.0106	0.0477	0.6105
Trichomonas vaginalis	cysteine synthase, putative	0.0106	0.0477	1
Trypanosoma cruzi	cysteine synthase, putative	0.0106	0.0477	0.6105
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0034	0.0282
Schistosoma mansoni	glucose transport protein	0.0101	0.0453	0.0444
Trypanosoma cruzi	cystathionine beta-synthase	0.0106	0.0477	0.6105
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.0026	0.0071	0.0813
Entamoeba histolytica	threonine dehydratase, putative	0.0026	0.0071	0.0272
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0165	0.0775	0.0837
Mycobacterium tuberculosis	Threonine synthase ThrC (ts)	0.0026	0.0071	0.0068
Schistosoma mansoni	cysteine synthase	0.0106	0.0477	0.0468
Loa Loa (eye worm)	sugar transporter	0.0101	0.0453	0.0453
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.003	0.0091	0.176
Toxoplasma gondii	O-acetylserine (thiol) lyase 2, putative	0.0026	0.0071	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0054	0.0581
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0097	0.1872
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0165	0.0775	0.0743
Trypanosoma cruzi	cystathionine beta-synthase	0.0106	0.0477	0.6105
Schistosoma mansoni	d-amino acid oxidase	0.1976	1	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.052	0.5775
Schistosoma mansoni	loxhd1	0.0019	0.0034	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Leishmania major	cystathionine beta-synthase	0.0106	0.0477	0.6105
Mycobacterium leprae	Probable tryptophan synthase, beta subunit TrpB	0.0026	0.0071	0.0037
Onchocerca volvulus		0.0026	0.0071	0.0813
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0054	0.0049
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0165	0.0775	1
Trichomonas vaginalis	threonine dehydratase/deaminase, putative	0.0026	0.0071	0.1332
Trypanosoma brucei	cystathionine beta-synthase, putative	0.0106	0.0477	0.6105
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0034	0.0282
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0019	0.0011
Brugia malayi	hypothetical protein	0.0019	0.0034	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Trichomonas vaginalis	cysteine synthase, putative	0.0106	0.0477	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0054	0.0054
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0164	0.0773	0.5503
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.003	0.0091	0.1075
Echinococcus multilocularis	neuropeptide receptor	0.0188	0.0894	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0035	0.0117	0.141
Echinococcus multilocularis	l serine dehydratase:l threonine deaminase	0.0026	0.0071	0.0704
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0024	0.007
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0052	0.0557
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0165	0.0775	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Trypanosoma cruzi	serine sulfhydrylase	0.0106	0.0477	0.6105
Mycobacterium ulcerans	cysteine synthase B	0.0106	0.0477	0.0468
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0052	0.0201
Mycobacterium tuberculosis	Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450)	0.0106	0.0477	0.0511
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0052	0.0043
Trichomonas vaginalis	cysteine synthase, putative	0.0106	0.0477	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0085	0.0856
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0054	0.0045
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0165	0.0775	0.0767
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0165	0.0775	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0031	0.0097	0.1143
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0557
Toxoplasma gondii	pyridoxal-phosphate dependent superfamily protein	0.0106	0.0477	0.3367
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0035	0.0117	0.0778
Trypanosoma cruzi	cystathionine beta-synthase, putative	0.0106	0.0477	0.6105
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0165	0.0775	1
Echinococcus granulosus	RUN	0.0019	0.0034	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Plasmodium falciparum	protein kinase 7	0.0287	0.1398	0.6546
Schistosoma mansoni	glucose transport protein	0.0101	0.0453	0.0444
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0052	0.0369
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.005	0.0193	0.2077
Mycobacterium tuberculosis	Probable lyase	0.0026	0.0071	0.0068
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0097	0.0088
Plasmodium falciparum	hexose transporter	0.0101	0.0453	0.2092
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0165	0.0775	0.0767
Giardia lamblia	Threonine dehydratase lateral transfer candidate	0.0026	0.0071	0.0813
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0054	0.0581
Schistosoma mansoni	rab6-interacting	0.0019	0.0034	0.0025
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Trypanosoma cruzi	cystathionine beta-synthase, putative	0.0106	0.0477	0.6105
Mycobacterium tuberculosis	Probable threonine dehydratase IlvA	0.0026	0.0071	0.0068
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0054	0.0026
Schistosoma mansoni	fad oxidoreductase	0.0165	0.0775	0.0767
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.1811	0.9161	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0054	0.0581
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.005	0.0193	0.2399
Trichomonas vaginalis	cysteine synthase, putative	0.0106	0.0477	1
Onchocerca volvulus		0.0019	0.0034	0.0326
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0054	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0097	0.0097
Entamoeba histolytica	threonine dehydratase, putative	0.0026	0.0071	0.0272
Schistosoma mansoni	protein kinase	0.0032	0.0097	0.0088
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0037	0.0608
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0164	0.0773	0.3602
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0165	0.0775	0.0775
Mycobacterium leprae	PROBABLE THREONINE SYNTHASE THRC	0.0026	0.0071	0.0037
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0097	0.0415
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0034	0.0282
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Leishmania major	cysteine synthase	0.0106	0.0477	0.6105
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0775	0.0775
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Trichomonas vaginalis	cysteine synthase, putative	0.0026	0.0071	0.1332
Mycobacterium ulcerans	threonine synthase	0.0026	0.0071	0.0062
Entamoeba histolytica	cysteine synthase A, putative	0.0106	0.0477	0.5875
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0165	0.0775	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0097	0.1872
Trichomonas vaginalis	threonine synthase, putative	0.0106	0.0477	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.003	0.0091	0.0082
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0035	0.0117	0.141
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0097	0.0415
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0431	0.2131	1
Trichomonas vaginalis	threonine dehydratase/deaminase, putative	0.0026	0.0071	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Entamoeba histolytica	protein kinase, putative	0.0032	0.0097	0.0625
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0024	0.007
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.0106	0.0477	0.6105
Trichomonas vaginalis	cysteine synthase, putative	0.0106	0.0477	1
Entamoeba histolytica	threonine dehydratase catabolic, putative	0.0026	0.0071	0.0272
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0912
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0165	0.0775	0.3611
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.003	0.0091	0.093
Trypanosoma cruzi	cystathionine beta-synthase	0.0106	0.0477	0.6105
Trypanosoma cruzi	cystathionine beta-synthase, putative	0.0106	0.0477	0.6105
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Brugia malayi	Cam kinase protein 1	0.0032	0.0097	0.1147
Trichomonas vaginalis	glucose transporter, putative	0.0031	0.0097	0.1872
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0054	0.0045
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0165	0.0775	1
Giardia lamblia	Prolyl-tRNA synthetase	0.003	0.0091	0.1075
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.1976	1	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0101	0.0453	0.3196
Toxoplasma gondii	CBS family protein	0.0106	0.0477	0.3367
Loa Loa (eye worm)	cbs-prov protein	0.0106	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Mycobacterium tuberculosis	Tryptophan synthase, beta subunit TrpB	0.0026	0.0071	0.0068
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.003	0.0091	0.0057
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0097	0.1143
Leishmania major	serine-threonine dehydratase, putative	0.0026	0.0071	0.0813
Schistosoma mansoni	lipoxygenase	0.008	0.0345	0.0336
Schistosoma mansoni	fad oxidoreductase	0.0165	0.0775	0.0767
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0097	0.1143
Echinococcus multilocularis	RUN	0.0019	0.0034	0.0282
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0165	0.0775	1
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0034	0.0118
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0009	0.0009
Leishmania major	glucose transporter, lmgt3	0.0031	0.0097	0.1143
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0165	0.0775	1
Trichomonas vaginalis	glucose transporter, putative	0.0031	0.0097	0.1872
Schistosoma mansoni	polycystin 1-related	0.0019	0.0034	0.0025
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0097	0.1143
Trypanosoma cruzi	threonine synthase, putative	0.0026	0.0071	0.0813
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0097	0.0097
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0052	0.0482
Trichomonas vaginalis	threonine dehydratase/deaminase, putative	0.0026	0.0071	0.1332
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.0453	0.5015
Mycobacterium leprae	PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A)	0.0106	0.0477	0.0444
Onchocerca volvulus		0.0019	0.0034	0.0326
Mycobacterium ulcerans	threonine dehydratase	0.0026	0.0071	0.0062
Leishmania major	glucose transporter, lmgt2	0.0031	0.0097	0.1143
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0165	0.0775	0.0767
Schistosoma mansoni	lipoxygenase	0.0115	0.052	0.0512
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0165	0.0775	0.0767
Entamoeba histolytica	protein kinase domain containing protein	0.005	0.0193	0.1951
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.003	0.0091	0.0548
Plasmodium falciparum	proline--tRNA ligase	0.0035	0.0117	0.0509
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0054	0.0019
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0054	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0009	0.0009
Entamoeba histolytica	protein kinase, putative	0.005	0.0193	0.1951
Schistosoma mansoni	protein kinase	0.0032	0.0097	0.0088
Echinococcus granulosus	l serine dehydratase:l threonine deaminase	0.0026	0.0071	0.0704
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0165	0.0775	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0054	0.0054
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0097	0.1147
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0165	0.0775	1
Brugia malayi	Sugar transporter family protein	0.0101	0.0453	0.5793
Entamoeba histolytica	cysteine synthase A, putative	0.0106	0.0477	0.5875
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0097	0.1879
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0097	0.1872
Mycobacterium ulcerans	cystathionine beta-synthase	0.0106	0.0477	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0775	0.0775
Loa Loa (eye worm)	pyridoxal-phosphate dependent enzyme family protein	0.0026	0.0071	0.0071
Onchocerca volvulus		0.0023	0.0054	0.0581
Trypanosoma cruzi	serine-threonine dehydratase, putative	0.0026	0.0071	0.0813
Onchocerca volvulus		0.005	0.0193	0.2399
Trichomonas vaginalis	cysteine synthase, putative	0.0026	0.0071	0.1332
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0165	0.0775	1
Mycobacterium leprae	Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450)	0.0106	0.0477	0.0444
Schistosoma mansoni	glucose transport protein	0.0101	0.0453	0.0444
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0097	0.1872
Onchocerca volvulus	Serine racemase homolog	0.0026	0.0071	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0034	0.0034
Plasmodium vivax	proline--tRNA ligase, putative	0.0035	0.0117	0.0509
Trypanosoma cruzi	hexose transporter	0.0031	0.0097	0.1143
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0052	0.0307
Brugia malayi	hypothetical protein	0.0019	0.0034	0.0326
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.0026	0.0071	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0054	0.0054
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0164	0.0773	0.3602
Trypanosoma brucei	protein kinase, putative	0.005	0.0193	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0054	0.0026
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0085	0.0856
Mycobacterium tuberculosis	Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A)	0.0106	0.0477	0.0511
Trypanosoma brucei	glucose transporter 1E	0.0031	0.0097	0.1143
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.052	0.5775
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0031	0.0097	0.1143
Echinococcus granulosus	General substrate transporter	0.0087	0.038	0.4195
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0165	0.0775	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0052	0.0043
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0097	0.0993
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0031	0.0097	0.1143
Leishmania major	hypothetical protein, conserved	0.0165	0.0775	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0034	0.0034
Echinococcus granulosus	neuropeptide receptor	0.0188	0.0894	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0097	0.0993
Trypanosoma cruzi	serine-threonine dehydratase, putative	0.0026	0.0071	0.0813
Echinococcus multilocularis	protein kinase shaggy	0.005	0.0193	0.2077

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3700 nM	Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand	ChEMBL.	14611849
IC50 (binding)	= 3700 nM	Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand	ChEMBL.	14611849

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 159512