TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 570.363 | Formula: C35H47BN2O4
H donors: 2 H acceptors: 2 LogP: 7.26 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CC(C[C@@H](B1OC2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2c1cccc2)C
InChi: InChI=1S/C35H47BN2O4/c1-22(2)18-31(36-41-30-21-25-20-29(34(25,3)4)35(30,5)42-36)38-33(40)28(19-23-12-7-6-8-13-23)37-32(39)27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,22,25,27-31H,11,15,17-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,27-,28-,29-,30?,31-,35-/m0/s1
InChiKey: VOTDVUBZDFZSLV-XWRXRWDISA-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	proteasome (prosome, macropain) subunit, beta type, 5		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Candida albicans	proteasome subunit	Get druggable targets OG5_127100	All targets in OG5_127100
Candida albicans	proteasome subunit	Get druggable targets OG5_127100	All targets in OG5_127100
Echinococcus multilocularis	proteasome (prosome, macropain)	Get druggable targets OG5_127100	All targets in OG5_127100
Neospora caninum	Family T1, proteasome beta subunit, threonine peptidase, related	Get druggable targets OG5_127100	All targets in OG5_127100
Trypanosoma congolense	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Theileria parva	proteasome subunit beta type 5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Leishmania major	proteasome beta 5 subunit, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	Get druggable targets OG5_127100	All targets in OG5_127100
Plasmodium yoelii	proteosome PSMB5/8 protein	Get druggable targets OG5_127100	All targets in OG5_127100
Schistosoma japonicum	ko:K02737 20S proteasome subunit beta 5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Leishmania braziliensis	proteasome beta 5 subunit, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Leishmania donovani	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Brugia malayi	Proteasome A-type and B-type family protein	Get druggable targets OG5_127100	All targets in OG5_127100
Trypanosoma brucei	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Plasmodium knowlesi	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Leishmania infantum	proteasome beta 5 subunit, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Plasmodium falciparum	proteasome subunit beta type-5	Get druggable targets OG5_127100	All targets in OG5_127100
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	Get druggable targets OG5_127100	All targets in OG5_127100
Giardia lamblia	Proteasome subunit beta type 5 precursor	Get druggable targets OG5_127100	All targets in OG5_127100
Toxoplasma gondii	proteasome subunit beta type, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Trypanosoma brucei gambiense	proteasome beta 5 subunit, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Mycobacterium leprae	proteasome (beta subunit) PrcB	Get druggable targets OG5_127100	All targets in OG5_127100
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_127100	All targets in OG5_127100
Leishmania mexicana	proteasome beta 5 subunit, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Cryptosporidium parvum	Pre2p/proteasome subunit beta type 5; NTN hydrolase fold	Get druggable targets OG5_127100	All targets in OG5_127100
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	Get druggable targets OG5_127100	All targets in OG5_127100
Loa Loa (eye worm)	proteasome A-type and B-type family protein	Get druggable targets OG5_127100	All targets in OG5_127100
Trypanosoma cruzi	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Echinococcus granulosus	proteasome prosome macropain	Get druggable targets OG5_127100	All targets in OG5_127100
Mycobacterium ulcerans	proteasome PrcB	Get druggable targets OG5_127100	All targets in OG5_127100
Trypanosoma cruzi	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Babesia bovis	proteasome epsilon subunit, putative	Get druggable targets OG5_127100	All targets in OG5_127100
Plasmodium berghei	proteasome subunit beta type-5, putative	Get druggable targets OG5_127100	All targets in OG5_127100

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	proteasome subunit alpha type-5, putative	proteasome (prosome, macropain) subunit, beta type, 5	160 aa	148 aa	23.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0288	0.0426
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0288	0.0288
Trichomonas vaginalis	glutaminase, putative	0.0303	0.3783	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0288	0.0426
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0348	0.0516
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0749	0.198
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0405	0.0873
Leishmania major	proteasome beta 5 subunit, putative	0.0086	0.0996	0.2225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0512	0.0758
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0512	0.1353
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.2822	0.298
Leishmania major	hypothetical protein, conserved	0.0038	0.0379	0.0722
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0512	0.0758
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0512	0.0758
Mycobacterium ulcerans	hypothetical protein	0.0176	0.2156	0.2239
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0348	0.0348
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.109	1
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0086	0.0996	0.0948
Toxoplasma gondii	Erv1 / Alr family protein	0.0038	0.0379	0.275
Loa Loa (eye worm)	glutaminase	0.0303	0.3783	1
Echinococcus multilocularis	cpg binding protein	0.0029	0.0268	0.0268
Onchocerca volvulus		0.0036	0.0349	0.1822
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0038	0.0379	0.0722
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0086	0.0996	0.2633
Schistosoma mansoni	alpha-glucosidase	0.0156	0.1887	0.2794
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0335	0.4191	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0906	0.2395
Brugia malayi	MH2 domain containing protein	0.0126	0.1505	0.3978
Echinococcus granulosus	cpg binding protein	0.0029	0.0268	0.0397
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0001	0.0001
Schistosoma mansoni	ap endonuclease	0.002	0.0144	0.0214
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0405	0.0873
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0144	0.0622
Trypanosoma brucei	glucosidase, putative	0.004	0.0405	0.0786
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.109	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0047	0.0495	0.1005
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0349	0.0349
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0349	0.0228
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0288	0.076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0512	0.0758
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0086	0.0996	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0348	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0082	0.0216
Schistosoma mansoni	cpg binding protein	0.0029	0.0268	0.0397
Schistosoma mansoni	hypothetical protein	0.0067	0.0749	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0349	0.0922
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0159	0.1926	0.4487
Schistosoma mansoni	cpg binding protein	0.0029	0.0268	0.0397
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0349	0.0228
Schistosoma mansoni	hypothetical protein	0.0036	0.0348	0.0516
Entamoeba histolytica	hypothetical protein	0.0036	0.0348	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0349	0.0922
Echinococcus granulosus	geminin	0.0535	0.6755	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0512	0.0512
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0405	0.0873
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0288	0.0288
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.0405	0.0873
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0512	0.0758
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0405	0.0873
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0349	0.0228
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0405	0.0873
Onchocerca volvulus		0.0036	0.0349	0.1822
Echinococcus granulosus	proteasome prosome macropain	0.0086	0.0996	0.1474
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0335	0.4191	1
Loa Loa (eye worm)	hepatopoietin HPO2	0.0038	0.0379	0.1001
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0719	0.9127	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0144	0.0144
Entamoeba histolytica	hypothetical protein	0.0036	0.0348	0.2647
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.0405	0.0599
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0568	0.4978
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0349	0.0922
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0349	0.0228
Schistosoma mansoni	cpg binding protein	0.0028	0.0248	0.0367
Plasmodium vivax	ataxin-2 like protein, putative	0.0079	0.0906	0.0848
Schistosoma mansoni	hypothetical protein	0.0535	0.6755	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0079	0.0906	0.0848
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0086	0.0996	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0129	0.1547	0.409
Brugia malayi	glutaminase DH11.1	0.0303	0.3783	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0349	0.0228
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.1505	0.3978
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0349	0.0228
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0038	0.0379	0.0722
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.0405	0.0786
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0349	0.065
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.0405	0.0405
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0349	0.0228
Toxoplasma gondii	Erv1 / Alr family protein	0.0038	0.0379	0.275
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0144	0.0382
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0144	0.0152
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0349	0.0228
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0349	0.0722
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.1147	0.3031
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0038	0.0379	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0749	0.198
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0181	0.221	0.5842
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0288	0.076
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0288	0.0426
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0144	0.0169
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0086	0.0996	0.9071
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0348	0.0516
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0349	0.0922
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0086	0.0996	0.2225
Leishmania major	hypothetical protein, conserved	0.0036	0.0349	0.065
Schistosoma mansoni	ap endonuclease	0.002	0.0144	0.0214
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.0405	0.3059
Brugia malayi	Proteasome A-type and B-type family protein	0.0086	0.0996	0.2633
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0144	0.0152
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0086	0.0996	0.2225
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0144	0.0214
Loa Loa (eye worm)	glutaminase 2	0.0303	0.3783	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0405	0.0786
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0038	0.0379	0.0722
Onchocerca volvulus	Huntingtin homolog	0.0129	0.1547	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0346	0.0512
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0349	0.065
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0349	0.0722
Toxoplasma gondii	proteasome subunit beta type, putative	0.0086	0.0996	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.221	0.221
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0349	0.065
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0057	0.0627	0.1327
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0035	0.0346	0.0512
Plasmodium falciparum	ataxin-2 like protein, putative	0.0079	0.0906	0.0848
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0176	0.2156	0.2239
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.1147	0.3031
Schistosoma mansoni	alpha glucosidase	0.004	0.0405	0.0599
Echinococcus granulosus	lysosomal alpha glucosidase	0.0181	0.221	0.3272
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1147	0.3031
Schistosoma mansoni	hypothetical protein	0.0031	0.0288	0.0426
Onchocerca volvulus		0.0036	0.0349	0.1822
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0349	0.0722
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0086	0.0996	0.1474
Schistosoma mansoni	alpha-glucosidase	0.0156	0.1887	0.2794
Leishmania major	hypothetical protein, conserved	0.0079	0.0906	0.2006
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0086	0.0996	0.247
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0719	0.9127	1
Brugia malayi	hypothetical protein	0.0079	0.0906	0.2395
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0288	0.0288
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.109	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.0405	0.107
Schistosoma mansoni	hypothetical protein	0.0031	0.0288	0.0426
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0349	0.0228
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0038	0.0379	0.056
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0495	0.1005
Schistosoma mansoni	hypothetical protein	0.0031	0.0288	0.0426
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0015	0.0082	0.0216
Onchocerca volvulus		0.0028	0.0248	0.1135
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.1147	0.3031
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0719	0.9127	1
Schistosoma mansoni	hypothetical protein	0.0535	0.6755	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.221	0.221
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0001	0.0002
Brugia malayi	hypothetical protein	0.0036	0.0348	0.0921
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0144	0.0169
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0349	0.0516
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0405	0.0873
Echinococcus granulosus	GPCR family 2	0.0031	0.0288	0.0426
Mycobacterium ulcerans	glutaminase	0.0303	0.3783	0.4051
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.0405	0.107
Echinococcus multilocularis	geminin	0.0535	0.6755	0.6755
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.109	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0348	0.2647
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0086	0.0996	0.0948
Brugia malayi	Augmenter of liver regeneration	0.0038	0.0379	0.1001
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0349	0.0228
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0038	0.0379	0.0261
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0181	0.221	0.5842
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0512	0.0512
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0405	0.0786
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0144	0.0152
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0349	0.0228
Trypanosoma brucei	PAB1-binding protein , putative	0.0079	0.0906	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0349	0.0922
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0349	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0288	0.076
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0349	0.0228
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0159	0.1926	0.4487
Toxoplasma gondii	ABC1 family protein	0.0036	0.0349	0.2401
Mycobacterium ulcerans	lipase LipD	0.0036	0.0349	0.0228
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0719	0.9127	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0248	0.0656
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0001	0.0001
Schistosoma mansoni	glutaminase	0.0303	0.3783	0.56
Mycobacterium ulcerans	proteasome PrcB	0.0086	0.0996	0.0948
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0159	0.1926	0.4487
Trypanosoma cruzi	PAB1-binding protein , putative	0.0079	0.0906	0.2006
Leishmania major	mitochondrial DNA polymerase beta	0.0335	0.4191	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0288	0.076
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0649	0.0961
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0248	0.0656
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0349	0.0516
Brugia malayi	beta-lactamase	0.0036	0.0349	0.0922
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0349	0.0516
Brugia malayi	hypothetical protein	0.0129	0.1547	0.409
Onchocerca volvulus	Huntingtin homolog	0.0129	0.1547	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0047	0.0495	0.1005
Onchocerca volvulus		0.0105	0.1232	0.7849
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0144	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0349	0.0922
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0405	0.3206
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0335	0.4191	1
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0038	0.0379	0.0261
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0349	0.0228
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.0405	0.0873
Brugia malayi	hypothetical protein	0.0051	0.0546	0.1443
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0349	0.0228
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0086	0.0996	0.2225
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0405	0.3206
Entamoeba histolytica	fatty acid elongase, putative	0.0093	0.109	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0349	0.0722
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0144	0.0152
Brugia malayi	beta-lactamase family protein	0.0036	0.0349	0.0922
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0719	0.9127	1
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0719	0.9127	1
Plasmodium falciparum	proteasome subunit beta type-5	0.0086	0.0996	0.0948
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0719	0.9127	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.1505	0.3978
Loa Loa (eye worm)	hypothetical protein	0.0129	0.1547	0.409
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0349	0.0722
Toxoplasma gondii	LsmAD domain-containing protein	0.0079	0.0906	0.8943
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0038	0.0379	0.0722
Trypanosoma cruzi	PAB1-binding protein , putative	0.0079	0.0906	0.2006
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0512	0.1353
Toxoplasma gondii	hypothetical protein	0.0054	0.0584	0.5159
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0144	0.0382
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0086	0.0996	1
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0719	0.9127	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0349	0.0922
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0349	0.0922
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0495	0.1005
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0405	0.0873
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0349	0.0722
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0035	0.0346	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0349	0.0922
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0349	0.0922

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.049	Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by spectrofluorimetric analysis	ChEMBL.	27117691
IC50 (binding)	= 1.12 nM	Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by spectrofluorimetric analysis	ChEMBL.	27117691

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: CHEMBL3794168

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 2203642