TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.545 | Formula: C22H36N4O5
H donors: 2 H acceptors: 5 LogP: 1.01 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)[C@H]([C@H](CN1CCC(=O)CC1)CC1CCCC1)CN1C(=O)N(C(C1=O)(C)C)C
InChi: 1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-18(19(28)23-31)16(12-15-6-4-5-7-15)13-25-10-8-17(27)9-11-25/h15-16,18,31H,4-14H2,1-3H3,(H,23,28)/t16-,18-/m1/s1
InChiKey: OERISIYZNAJLPY-SJLPKXTDSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0027	0.0063	0.0119
Brugia malayi	Variant SH3 domain containing protein	0.0027	0.0063	0.0078
Schistosoma mansoni	hypothetical protein	0.0027	0.0063	0.0119
Echinococcus granulosus	pleckstrin y domain containing family A	0.0027	0.0063	0.0063
Entamoeba histolytica	hypothetical protein	0.0027	0.0063	0.0078
Entamoeba histolytica	hypothetical protein, conserved	0.0027	0.0063	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Entamoeba histolytica	hypothetical protein	0.0034	0.0182	0.0225
Echinococcus multilocularis	protein kinase c iota type	0.0183	0.2748	0.5171
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0166	0.2451	0.3031
Echinococcus multilocularis	myotubularin protein 13	0.0042	0.0318	0.0598
Entamoeba histolytica	protein kinase, putative	0.0025	0.0023	0.0029
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0664	0.1143
Echinococcus granulosus	RNA directed DNA polymerase	0.0043	0.0338	0.0338
Giardia lamblia	Kinase, CMGC GSK	0.0111	0.1499	0.1995
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0228	0.3509	0.6603
Brugia malayi	Oxysterol binding protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0168	0.2494	0.4693
Toxoplasma gondii	AtPH1 family protein	0.0027	0.0063	0.0083
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0333	0.5314	0.657
Schistosoma mansoni	guanyl-nucleotide exchange factor	0.0027	0.0063	0.0119
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0034	0.0182	0.0225
Schistosoma mansoni	goodpasture antigen-binding protein	0.0027	0.0063	0.0119
Schistosoma mansoni	serine/threonine protein kinase	0.0168	0.2494	0.4693
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Brugia malayi	hypothetical protein	0.0027	0.0063	0.0078
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	rac serine:threonine kinase	0.0333	0.5314	1
Plasmodium falciparum	phosphatidylinositol transfer protein, putative	0.0027	0.0063	0.0131
Leishmania major	folate/biopterin transporter, putative	0.0034	0.0182	0.0932
Brugia malayi	Dynamin	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Brugia malayi	Variant SH3 domain containing protein	0.0028	0.0087	0.0107
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0111	0.1499	0.2734
Brugia malayi	Plekhf2 protein	0.0027	0.0063	0.0078
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0034	0.0182	0.0932
Echinococcus multilocularis	Pleckstrin y	0.0027	0.0063	0.0119
Echinococcus multilocularis	oxysterol binding protein 3	0.0027	0.0063	0.0119
Onchocerca volvulus		0.0042	0.0318	0.1771
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.3674
Echinococcus granulosus	serine/threonine protein kinase	0.0333	0.5314	0.5314
Echinococcus granulosus	arf GAP with coiled coil ANK repeat and PH	0.0027	0.0063	0.0063
Echinococcus granulosus	pdz domain containing protein	0.0027	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0137	0.1953	0.4025
Entamoeba histolytica	protein kinase, putative	0.0467	0.7625	0.9428
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0051	0.048	0.0594
Entamoeba histolytica	hypothetical protein, conserved domain containing	0.0027	0.0063	0.0078
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.013	0.1834	0.1834
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0168	0.2494	0.4693
Loa Loa (eye worm)	syntrophin-1	0.0027	0.0063	0.0078
Entamoeba histolytica	PH domain containing protein	0.0027	0.0063	0.0078
Echinococcus granulosus	nervana 2	0.0299	0.4733	0.4733
Echinococcus multilocularis	Pleckstrin domain containing protein, family B	0.0027	0.0063	0.0119
Echinococcus multilocularis	Oxysterol binding protein 11	0.0027	0.0063	0.0119
Trichomonas vaginalis	centaurin/arf, putative	0.0027	0.0063	0.0078
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0168	0.2494	0.4693
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0034	0.0182	0.0226
Loa Loa (eye worm)	raf kinase	0.0241	0.3745	0.463
Schistosoma mansoni	centaurin alpha	0.0027	0.0063	0.0119
Echinococcus granulosus	calcium dependent secretion activator 1	0.0027	0.0063	0.0063
Schistosoma mansoni	protein kinase	0.0143	0.2064	0.3885
Schistosoma mansoni	serine/threonine protein kinase	0.0168	0.2494	0.4693
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0034	0.0182	0.0932
Brugia malayi	Cadps2 protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0034	0.0182	0.0225
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Brugia malayi	GTPase-activator protein for Ras-like GTPase containing protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0494	0.8088	1
Brugia malayi	Raf kinase	0.0231	0.3568	0.4412
Brugia malayi	intracellular kinase	0.0111	0.1499	0.1854
Entamoeba histolytica	protein kinase, putative	0.0111	0.1499	0.1854
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0027	0.0063	0.0119
Brugia malayi	Furin-like cysteine rich region family protein	0.0166	0.2451	0.3031
Schistosoma mansoni	dynamin	0.0027	0.0063	0.0119
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Echinococcus multilocularis	Pleckstrin y	0.0027	0.0063	0.0119
Entamoeba histolytica	hypothetical protein, conserved domain containing	0.0027	0.0063	0.0078
Echinococcus granulosus	Arf GAP and Pleckstrin domain containing protein	0.0027	0.0063	0.0063
Echinococcus multilocularis	RNA directed DNA polymerase	0.0043	0.0338	0.0636
Loa Loa (eye worm)	uncoordinated protein 104	0.0027	0.0063	0.0078
Echinococcus multilocularis	arf GAP with coiled coil, ANK repeat and PH	0.0027	0.0063	0.0119
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0664	0.1143
Entamoeba histolytica	hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0111	0.1499	0.309
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0664	0.1249
Entamoeba histolytica	p21-activated kinase	0.0034	0.0182	0.0225
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.3674
Brugia malayi	Dynamin	0.0027	0.0063	0.0078
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0137	0.1955	0.2418
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Leishmania major	protein kinase, putative	0.0034	0.0182	0.0932
Schistosoma mansoni	protein kinase	0.0143	0.2064	0.3885
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase subunit type II alpha	0.012	0.1665	0.2059
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Trichomonas vaginalis	protein transport protein sec7, putative	0.0027	0.0063	0.0078
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.3674
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0168	0.2494	0.4693
Echinococcus granulosus	type II inositol 34 bisphosphate 4 phosphatase	0.0027	0.0063	0.0063
Trichomonas vaginalis	alpha chimerin, putative	0.0027	0.0063	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0168	0.2494	0.3083
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	centaurin/arf, putative	0.0027	0.0063	0.0078
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0137	0.1953	0.2414
Entamoeba histolytica	pleckstrin homology (PH) domain containing protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	protein kinase c epsilon type	0.0185	0.2771	0.5215
Entamoeba histolytica	hypothetical protein, conserved domain containing	0.0027	0.0063	0.0078
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0664	0.0664
Brugia malayi	protein kinase C II.	0.0185	0.2771	0.3427
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0306	0.4851	1
Schistosoma mansoni	tyrosine kinase	0.0055	0.0554	0.1042
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0027	0.0063	0.0078
Plasmodium vivax	hypothetical protein, conserved	0.0027	0.0063	0.0131
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0137	0.1953	0.2414
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0034	0.0182	0.0226
Loa Loa (eye worm)	rho-GTPase-activating	0.0027	0.0063	0.0078
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0027	0.0063	0.0078
Schistosoma mansoni	rho gtpase activating protein	0.0027	0.0063	0.0119
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0111	0.1499	0.2821
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0034	0.0182	0.0239
Schistosoma mansoni	serine/threonine protein kinase	0.0185	0.2771	0.5215
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Toxoplasma gondii	Oxysterol-binding protein	0.0027	0.0063	0.0083
Brugia malayi	Protein kinase domain containing protein	0.0168	0.2494	0.3083
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Schistosoma mansoni	zinc finger protein	0.0027	0.0063	0.0119
Entamoeba histolytica	protein kinase, putative	0.0034	0.0182	0.0225
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Schistosoma mansoni	tyrosine kinase	0.0086	0.1083	0.2039
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0592	0.0732
Echinococcus multilocularis	insulin receptor	0.0055	0.0554	0.1042
Schistosoma mansoni	oxysterol-binding protein 1	0.0027	0.0063	0.0119
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0306	0.4851	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0043	0.0338	0.0636
Trypanosoma cruzi	Protein kinase B	0.0333	0.5314	1
Entamoeba histolytica	protein kinase, putative	0.0494	0.8088	1
Brugia malayi	Protein kinase domain containing protein	0.0494	0.8088	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0111	0.1499	0.1966
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0246	0.3822	0.7193
Echinococcus granulosus	insulin receptor	0.0055	0.0554	0.0554
Leishmania major	hypothetical protein, conserved	0.0027	0.0063	0.0325
Entamoeba histolytica	hypothetical protein	0.0034	0.0182	0.0225
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	calcium dependent secretion activator 1	0.0027	0.0063	0.0119
Schistosoma mansoni	growth factor receptor-bound protein	0.0027	0.0063	0.0119
Echinococcus granulosus	protein kinase c iota type	0.0183	0.2748	0.2748
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0034	0.0182	0.0225
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0137	0.1953	0.4025
Onchocerca volvulus		0.0111	0.1499	1
Entamoeba histolytica	hypothetical protein	0.0027	0.0063	0.0078
Schistosoma mansoni	serine/threonine protein kinase	0.0246	0.3822	0.7193
Brugia malayi	Syntrophin-1	0.0027	0.0063	0.0078
Toxoplasma gondii	AGC kinase	0.0467	0.7625	1
Schistosoma mansoni	tyrosine kinase	0.0086	0.1083	0.2039
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	development and differentiation-enhancing factor, ddef, putative	0.0027	0.0063	0.0078
Schistosoma mansoni	serine/threonine protein kinase	0.0137	0.1953	0.3674
Echinococcus granulosus	protein kinase c epsilon type	0.0185	0.2771	0.2771
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0027	0.0063	0.0063
Entamoeba histolytica	ARF GTPase activating protein, putative	0.0027	0.0063	0.0078
Echinococcus granulosus	serine:threonine protein kinase N2	0.0168	0.2494	0.2494
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0111	0.1499	0.2821
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0168	0.2494	0.3083
Echinococcus multilocularis	Ras associated and pleckstrin y	0.0027	0.0063	0.0119
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0168	0.2494	0.3083
Loa Loa (eye worm)	PH domain-containing protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	collagen type iv alpha 3 binding protein	0.0027	0.0063	0.0119
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0143	0.2064	0.3885
Entamoeba histolytica	protein kinase, putative	0.0034	0.0182	0.0225
Echinococcus multilocularis	beta 1 syntrophin	0.0027	0.0063	0.0119
Plasmodium vivax	PH domain containing protein	0.0027	0.0063	0.0131
Entamoeba histolytica	hypothetical protein	0.0027	0.0063	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Schistosoma mansoni	hypothetical protein	0.0027	0.0063	0.0119
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Leishmania major	serine/threonine-protein kinase a, putative	0.0034	0.0182	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0137	0.1953	0.3598
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0111	0.1499	0.1854
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0055	0.0554	0.1042
Echinococcus granulosus	FERM and pleckstrin domain containing protein	0.0027	0.0063	0.0063
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.013	0.1834	0.3451
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0137	0.1953	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Brugia malayi	probable spectrin beta chain	0.0027	0.0063	0.0078
Entamoeba histolytica	protein kinase, putative	0.0034	0.0182	0.0225
Schistosoma mansoni	serine/threonine protein kinase	0.0168	0.2494	0.4693
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0318	0.0393
Echinococcus multilocularis	protein kinase shaggy	0.0111	0.1499	0.2821
Echinococcus granulosus	Glutaredoxin protein 5	0.0299	0.4733	0.4733
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0664	0.3398
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0034	0.0182	0.0226
Loa Loa (eye worm)	oxysterol binding protein	0.0027	0.0063	0.0078
Loa Loa (eye worm)	Plekhf2 protein	0.0027	0.0063	0.0078
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0034	0.0182	0.0225
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0137	0.1953	0.2414
Schistosoma mansoni	serine/threonine protein kinase	0.0228	0.3509	0.6603
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Toxoplasma gondii	AGC kinase	0.0137	0.1953	0.2561
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	Arf GAP and Pleckstrin domain containing protein	0.0027	0.0063	0.0119
Echinococcus multilocularis	cytohesin 1	0.0027	0.0063	0.0119
Leishmania major	protein kinase A catalytic subunit	0.0137	0.1953	1
Echinococcus granulosus	nervana 2	0.0299	0.4733	0.4733
Trypanosoma cruzi	NIMA-related kinase, putative	0.0034	0.0182	0.0226
Schistosoma mansoni	myotubularin-related protein	0.0027	0.0063	0.0119
Echinococcus granulosus	cytohesin 1	0.0027	0.0063	0.0063
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0185	0.2771	0.3427
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Trypanosoma brucei	PH domain containing protein, putative	0.0027	0.0063	0.0078
Schistosoma mansoni	serine/threonine-protein kinase	0.0333	0.5314	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0494	0.8088	1
Echinococcus granulosus	myotubularin protein 13	0.0042	0.0318	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Echinococcus granulosus	epidermal growth factor receptor	0.0091	0.1161	0.1161
Echinococcus multilocularis	oxysterol binding protein 1	0.0027	0.0063	0.0119
Schistosoma mansoni	serine/threonine protein kinase	0.0228	0.3509	0.6603
Echinococcus granulosus	protein kinase shaggy	0.0111	0.1499	0.1499
Toxoplasma gondii	hypothetical protein	0.0027	0.0063	0.0083
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0034	0.0182	0.0226
Schistosoma mansoni	dynamin	0.0027	0.0063	0.0119
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0111	0.1499	0.7678
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.012	0.1665	0.2059
Echinococcus granulosus	dynamin 1	0.0027	0.0063	0.0063
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0664	0.087
Schistosoma mansoni	protein kinase	0.0143	0.2064	0.3885
Brugia malayi	p70 ribosomal S6 kinase beta	0.0467	0.7625	0.9428
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Schistosoma mansoni	tyrosine kinase	0.0086	0.1083	0.2039
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0318	0.0393
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0027	0.0063	0.0131
Echinococcus granulosus	epidermal growth factor receptor	0.0166	0.2451	0.2451
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	epidermal growth factor receptor	0.0091	0.1161	0.2185
Schistosoma mansoni	goodpasture antigen-binding protein	0.0027	0.0063	0.0119
Trichomonas vaginalis	centaurin alpha, putative	0.0027	0.0063	0.0078
Echinococcus granulosus	serine threonine protein kinase nrc	0.0306	0.4851	0.4851
Plasmodium vivax	oxysterol-binding protein/PH domain containing protein	0.0027	0.0063	0.0131
Echinococcus granulosus	oxysterol binding protein 3	0.0027	0.0063	0.0063
Trichomonas vaginalis	AGC family protein kinase	0.0195	0.2956	0.3655
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0034	0.0182	0.0225
Brugia malayi	Pleckstrin Homology Domain	0.0042	0.0318	0.0393
Echinococcus granulosus	oxysterol binding protein 9	0.0027	0.0063	0.0063
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Schistosoma mansoni	hypothetical protein	0.0027	0.0063	0.0119
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.1953	0.2414
Echinococcus granulosus	Protein kinase C brain isozyme	0.0228	0.3509	0.3509
Echinococcus multilocularis	actin binding protein anillin	0.0027	0.0063	0.0119
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0168	0.2494	0.3083
Entamoeba histolytica	protein kinase domain containing protein	0.0111	0.1499	0.1854
Brugia malayi	MAX-1A	0.0027	0.0063	0.0078
Schistosoma mansoni	vav2	0.0042	0.0318	0.0598
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Plasmodium falciparum	acylated pleckstrin-homology domain-containing protein, putative	0.0027	0.0063	0.0131
Schistosoma mansoni	atypical protein kinase C	0.0183	0.2748	0.5171
Trichomonas vaginalis	AGC family protein kinase	0.0168	0.2494	0.3083
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0664	0.3398
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0034	0.0182	0.0225
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0168	0.2494	0.4693
Toxoplasma gondii	hypothetical protein	0.0027	0.0063	0.0083
Echinococcus granulosus	raf serine:threonine protein kinase	0.0246	0.3822	0.3822
Schistosoma mansoni	serine/threonine kinase	0.0168	0.2494	0.4693
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0164	0.2415	0.2986
Trypanosoma cruzi	NIMA-related kinase, putative	0.0034	0.0182	0.0226
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0027	0.0063	0.0131
Entamoeba histolytica	hypothetical protein, conserved domain containing	0.0027	0.0063	0.0078
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0034	0.0182	0.0226
Echinococcus multilocularis	Rho GTPase activating protein 24	0.0027	0.0063	0.0119
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Brugia malayi	Protein kinase domain containing protein	0.0168	0.2494	0.3083
Leishmania major	protein kinase, putative	0.0034	0.0182	0.0932
Entamoeba histolytica	protein kinase, putative	0.0494	0.8088	1
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0137	0.1953	1
Plasmodium falciparum	oxysterol-binding protein, putative	0.0027	0.0063	0.0131
Entamoeba histolytica	protein kinase 2, putative	0.0306	0.4851	0.5998
Echinococcus multilocularis	Pleckstrin y	0.0027	0.0063	0.0119
Schistosoma mansoni	zinc finger protein	0.0027	0.0063	0.0119
Echinococcus granulosus	Pleckstrin y	0.0027	0.0063	0.0063
Echinococcus multilocularis	serine threonine protein kinase	0.0213	0.3254	0.6124
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	ras specific guanine nucleotide releasing factor	0.0027	0.0063	0.0119
Brugia malayi	Cytohesin 3	0.0027	0.0063	0.0078
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0664	0.082
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0168	0.2494	0.3083
Brugia malayi	Uncoordinated protein 104	0.0027	0.0063	0.0078
Trichomonas vaginalis	CMGC family protein kinase	0.0111	0.1499	0.1854
Entamoeba histolytica	protein kinase, putative	0.0034	0.0182	0.0225
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0091	0.1161	0.1161
Trichomonas vaginalis	hypothetical protein	0.0027	0.0063	0.0078
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Echinococcus granulosus	collagen type iv alpha 3 binding protein	0.0027	0.0063	0.0063
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0664	0.082
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Schistosoma mansoni	serine/threonine protein kinase	0.0168	0.2494	0.4693
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0027	0.0063	0.0119
Echinococcus multilocularis	nervana 2	0.0299	0.4733	0.8906
Plasmodium falciparum	glycogen synthase kinase 3	0.0111	0.1499	0.309
Trypanosoma brucei	protein kinase, putative	0.0034	0.0182	0.0225
Echinococcus multilocularis	Glutaredoxin protein 5	0.0299	0.4733	0.8906
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Trichomonas vaginalis	centaurin beta, putative	0.0027	0.0063	0.0078
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0164	0.2415	0.2986
Echinococcus multilocularis	FERM and pleckstrin domain containing protein	0.0027	0.0063	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Entamoeba histolytica	protein kinase, putative	0.0168	0.2494	0.3083
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0143	0.2064	0.2064
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Giardia lamblia	Kinase, CMGC GSK	0.0111	0.1499	0.1995
Brugia malayi	Protein kinase domain containing protein	0.0055	0.0554	0.0685
Trichomonas vaginalis	kinesin light chain, putative	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Echinococcus granulosus	twitchin	0.0024	0.0009	0.0009
Schistosoma mansoni	serine/threonine-protein kinase	0.0333	0.5314	1
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0034	0.0182	0.0226
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0111	0.1499	0.1499
Entamoeba histolytica	Rho guanine nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0306	0.4851	0.913
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Echinococcus granulosus	Rho GTPase activating protein 24	0.0027	0.0063	0.0063
Entamoeba histolytica	protein kinase domain containing protein	0.0111	0.1499	0.1854
Schistosoma mansoni	tyrosine kinase	0.0055	0.0554	0.1042
Trichomonas vaginalis	AGC family protein kinase	0.0168	0.2494	0.3083
Trypanosoma brucei	protein kinase, putative	0.0062	0.0664	0.082
Toxoplasma gondii	phosphatidylinositol transfer protein	0.0027	0.0063	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0467	0.7625	0.9428
Echinococcus multilocularis	oxysterol binding protein 9	0.0027	0.0063	0.0119
Echinococcus granulosus	protein kinase C gamma type	0.0213	0.3254	0.3254
Echinococcus multilocularis		0.005	0.0464	0.0873
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0168	0.2494	0.2494
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Trypanosoma brucei	protein kinase, putative	0.0111	0.1499	0.1854
Loa Loa (eye worm)	TK/INSR protein kinase	0.0055	0.0554	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0162	0.2375	0.2936
Schistosoma mansoni	serine/threonine protein kinase	0.0137	0.1953	0.3674
Echinococcus multilocularis	epidermal growth factor receptor	0.0166	0.2451	0.4613
Echinococcus multilocularis	pdz domain containing protein	0.0027	0.0063	0.0119
Trichomonas vaginalis	protein transport protein sec7, putative	0.0027	0.0063	0.0078
Echinococcus granulosus	oxysterol binding protein 1	0.0027	0.0063	0.0063
Trichomonas vaginalis	centaurin gamma, putative	0.0027	0.0063	0.0078
Schistosoma mansoni	tyrosine kinase	0.0091	0.1161	0.2185
Echinococcus granulosus	ras specific guanine nucleotide releasing factor	0.0027	0.0063	0.0063
Trichomonas vaginalis	CMGC family protein kinase	0.0111	0.1499	0.1854
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Entamoeba histolytica	protein kinase, putative	0.0034	0.0182	0.0225
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.1953
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0027	0.0063	0.0131
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0299	0.4733	0.8906
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0137	0.1953	0.2414
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0299	0.4733	0.4733
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0027	0.0063	0.0119
Echinococcus multilocularis	DCC interacting protein 13 beta	0.0027	0.0063	0.0119
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0168	0.2494	0.4693
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2494	0.3083
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0168	0.2494	0.2494
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0028	0.0087	0.0107
Trichomonas vaginalis	AGC family protein kinase	0.0168	0.2494	0.3083
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0027	0.0063	0.0078
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0137	0.1953	0.2414
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0137	0.1953	0.3598
Giardia lamblia	Kinase, AGC PKA	0.0137	0.1953	0.3078
Schistosoma mansoni	oxysterol-binding protein 1	0.0027	0.0063	0.0119
Echinococcus multilocularis	type II inositol 3,4 bisphosphate 4 phosphatase	0.0027	0.0063	0.0119
Giardia lamblia	Kinase, AGC PKA	0.0306	0.4851	1
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0664	0.1249
Brugia malayi	Oxysterol-binding protein	0.0027	0.0063	0.0078
Brugia malayi	MAP kinase sur-1	0.0062	0.0664	0.082
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0664	0.1143
Schistosoma mansoni	tyrosine kinase	0.0091	0.1161	0.2185
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Schistosoma mansoni	tyrosine kinase	0.0166	0.2451	0.4613
Echinococcus granulosus	Oxysterol binding protein 11	0.0027	0.0063	0.0063
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Echinococcus multilocularis	pleckstrin y domain containing family A	0.0027	0.0063	0.0119
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0664	0.082
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0137	0.1953	0.2414
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0664	0.1143
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0168	0.2494	0.2494
Brugia malayi	Protein kinase c protein 2	0.0066	0.0735	0.0908
Schistosoma mansoni	phosphoinositol 4-phosphate adaptor protein	0.0027	0.0063	0.0119
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0034	0.0182	0.0226
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0034	0.0182	0.0225
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0027	0.0063	0.0078
Entamoeba histolytica	PH domain containing protein	0.0027	0.0063	0.0078
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0664	0.082
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0034	0.0182	0.0375
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0306	0.4851	0.9119
Leishmania major	hypothetical protein, conserved	0.0027	0.0063	0.0325
Echinococcus granulosus	beta 1 syntrophin	0.0027	0.0063	0.0063
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0664	0.1249
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0137	0.1953	0.3598
Entamoeba histolytica	hypothetical protein, conserved domain containing	0.0027	0.0063	0.0078
Echinococcus multilocularis	nervana 2	0.0299	0.4733	0.8906
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0664	0.082
Entamoeba histolytica	PH domain containing protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.3674
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0664	0.082
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Echinococcus granulosus	Pleckstrin y	0.0027	0.0063	0.0063
Trichomonas vaginalis	guanyl-nucleotide exchange factor, putative	0.0027	0.0063	0.0078
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.1953
Plasmodium falciparum	PH domain-containing protein, putative	0.0027	0.0063	0.0131
Brugia malayi	Hr1 repeat family protein	0.0168	0.2494	0.3083
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Echinococcus granulosus	NDR protein kinase	0.0168	0.2494	0.2494
Schistosoma mansoni	syntrophin	0.0027	0.0063	0.0119
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0137	0.1953	0.2561
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0306	0.4851	0.4851
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0027	0.0063	0.0078
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0027	0.0063	0.0078
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0137	0.1953	0.3598
Schistosoma mansoni	serine/threonine protein kinase	0.0137	0.1953	0.3674
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0333	0.5314	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0055	0.0554	0.0554
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Entamoeba histolytica	hypothetical protein	0.0027	0.0063	0.0078
Brugia malayi	TBC domain containing protein	0.0027	0.0063	0.0078
Echinococcus granulosus	GRB2 associated binding protein 3	0.0027	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0034	0.0182	0.0226
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0034	0.0182	0.0225
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0063	0.0078
Echinococcus granulosus	Pleckstrin y	0.0027	0.0063	0.0063
Loa Loa (eye worm)	RhoGEF domain-containing protein	0.0027	0.0063	0.0078
Echinococcus granulosus	Pleckstrin domain containing protein family B	0.0027	0.0063	0.0063
Toxoplasma gondii	AGC kinase	0.0137	0.1953	0.2561
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0063	0.0078
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0137	0.1953	0.1953
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0664	0.0664
Echinococcus multilocularis	GRB2 associated binding protein 3	0.0027	0.0063	0.0119
Toxoplasma gondii	protein kinase domain-containing protein	0.0034	0.0182	0.0239
Echinococcus granulosus	DCC interacting protein 13 beta	0.0027	0.0063	0.0063
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0111	0.1499	0.1854
Brugia malayi	PH domain containing protein	0.0027	0.0063	0.0078
Schistosoma mansoni	hypothetical protein	0.0027	0.0063	0.0119
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Echinococcus multilocularis	dynamin 1	0.0027	0.0063	0.0119
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0034	0.0182	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1953	0.2414
Trichomonas vaginalis	AGC family protein kinase	0.0494	0.8088	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0338	0.0418
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0182	0.0225
Loa Loa (eye worm)	cytohesin 3	0.0027	0.0063	0.0078
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0333	0.5314	0.657

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.4 nM	Inhibitory activity against matrix metalloproteinase-13 (MMP13)	ChEMBL.	12930146
IC50 (binding)	= 58 nM	Inhibitory activity against matrix metalloproteinase-9 (MMP9)	ChEMBL.	12930146
IC50 (binding)	= 154 nM	Inhibitory activity against matrix metalloproteinase-2 (MMP2)	ChEMBL.	12930146
IC50 (binding)	= 527 nM	Inhibitory activity against matrix metalloproteinase-3 (MMP3)	ChEMBL.	12930146
Ki (binding)	= 7 uM	Inhibition of Matrix metalloproteinase-1 (MMP1)	ChEMBL.	12930146

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: 308095

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 217231