TDR Targets

Basic information

Technical information

TDR Targets ID: 1718049
Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihy droxyoxolan-2-yl]methyl N-(2-hydroxy-3,3-dime thylbutanoyl)sulfamate
MW: 460.462 | Formula: C16H24N6O8S
H donors: 5 H acceptors: 9 LogP: -1.73 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(C(C)(C)C)O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChi: 1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,11?,15-/m1/s1
InChiKey: XLQHUZMFAIRQAT-MPOKGTSVSA-N

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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

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-(2-hydroxy-3,3-dimethyl-butanoyl)sulfamate
N-(2-hydroxy-3,3-dimethyl-1-oxobutyl)sulfamic acid [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
N-(2-hydroxy-3,3-dimethyl-butanoyl)sulfamic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-(2-hydroxy-3,3-dimethyl-butanoyl)sulfamate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	pantoate--beta-alanine ligase	Get druggable targets OG5_129569	All targets in OG5_129569
Mycobacterium leprae	Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	Get druggable targets OG5_129569	All targets in OG5_129569
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	Get druggable targets OG5_129569	All targets in OG5_129569
Toxoplasma gondii	pantoate-beta-alanine ligase	Get druggable targets OG5_129569	All targets in OG5_129569
Neospora caninum	pantoate--beta-alanine ligase, putative	Get druggable targets OG5_129569	All targets in OG5_129569

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
Loa Loa (eye worm)	hypothetical protein	0.0042	0.014	0.014
Echinococcus multilocularis	cyclin dependent kinase 1	0.0225	0.1555	0.1476
Echinococcus granulosus	cyclin B	0.0124	0.0776	0.069
Brugia malayi	glutaminase DH11.1	0.0276	0.195	0.4154
Schistosoma mansoni	serine/threonine protein kinase	0.0463	0.3389	0.3327
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.1322	1	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.008	0.044	0.035
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0566	0.0478
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0274
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.008	0.044	0.2668
Trichomonas vaginalis	cyclin B, putative	0.0124	0.0776	0.3514
Brugia malayi	hypothetical protein	0.0075	0.0401	0.0855
Echinococcus multilocularis	transmembrane protease serine 3	0.0075	0.0401	0.0311
Echinococcus granulosus	glycoprotein Antigen 5	0.0075	0.0401	0.0311
Echinococcus multilocularis	cyclin dependent kinase	0.0225	0.1555	0.1476
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.014	0.0048
Trichomonas vaginalis	cyclins, putative	0.0124	0.0776	0.3514
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0225	0.1555	0.1555
Schistosoma mansoni	hypothetical protein	0.0037	0.0109	0.0016
Echinococcus multilocularis	cyclin b3	0.0052	0.0219	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	0.5
Schistosoma mansoni	peptidase Clp (S14 family)	0.008	0.044	0.035
Schistosoma mansoni	hypothetical protein	0.004	0.0129	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0378	0.0378
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.0226	0.0418
Brugia malayi	hypothetical protein	0.0035	0.0093	0.0198
Schistosoma mansoni	hypothetical protein	0.004	0.0129	0.0036
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0075	0.0401	0.0311
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0052	0.0219	0.0127
Loa Loa (eye worm)	cyclin domain-containing protein	0.0052	0.0219	0.0219
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Toxoplasma gondii	hypothetical protein	0.0039	0.0123	0.0166
Trichomonas vaginalis	cyclin B, putative	0.0124	0.0776	0.3514
Loa Loa (eye worm)	glutaminase 2	0.0276	0.195	0.195
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0075	0.0401	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Entamoeba histolytica	cyclin, putative	0.0124	0.0776	0.229
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0725	0.5408	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0566	0.0478
Schistosoma mansoni	glutaminase	0.0276	0.195	0.1874
Schistosoma mansoni	hypothetical protein	0.004	0.0129	0.0036
Trichomonas vaginalis	cyclin B, putative	0.0124	0.0776	0.3514
Trichomonas vaginalis	cyclin B3, putative	0.0052	0.0219	0.0433
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0052	0.0219	0.0466
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0219	0.0433
Entamoeba histolytica	cell division protein kinase 2, putative	0.0225	0.1555	0.4589
Onchocerca volvulus		0.0124	0.0776	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Echinococcus multilocularis	cyclin B3 1	0.0052	0.0219	0.0127
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Plasmodium falciparum	cyclin	0.0052	0.0219	0.1217
Onchocerca volvulus		0.0075	0.0401	0.5172
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0109	0.0109
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0633	0.4694	0.4694
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0274
Brugia malayi	Probable ClpP-like protease	0.008	0.044	0.0937
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Entamoeba histolytica	hypothetical protein	0.0463	0.3389	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.008	0.044	0.035
Trichomonas vaginalis	CMGC family protein kinase	0.0225	0.1555	0.7818
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Plasmodium falciparum	protein kinase 5	0.0225	0.1555	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0242	0.0515
Trichomonas vaginalis	cyclin B, putative	0.0052	0.0219	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0566	0.0566
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Trypanosoma cruzi	cdc2-related kinase 1	0.0225	0.1555	0.2981
Entamoeba histolytica	cell division protein kinase 2, putative	0.0225	0.1555	0.4589
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0186	0.0094
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.0566	0.1671
Echinococcus multilocularis	cyclin dependent kinase 1	0.0225	0.1555	0.1476
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0521	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0776	0.0776
Trichomonas vaginalis	cyclin A, putative	0.0124	0.0776	0.3514
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.014	0.0048
Onchocerca volvulus		0.0075	0.0401	0.5172
Trypanosoma brucei	cdc2-related kinase 1	0.0225	0.1555	0.2981
Echinococcus multilocularis	enteropeptidase	0.0075	0.0401	0.0311
Trichomonas vaginalis	cyclin B, putative	0.0124	0.0776	0.3514
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	0.0813
Brugia malayi	cell division control protein 2 homolog	0.0225	0.1555	0.3313
Schistosoma mansoni	cyclin B	0.0124	0.0776	0.069
Schistosoma mansoni	cyclin B3	0.0052	0.0219	0.0127
Echinococcus granulosus	cyclins	0.0052	0.0219	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0776	0.0776
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0463	0.3389	1
Trichomonas vaginalis	cyclins, putative	0.0124	0.0776	0.3514
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0212	0.0212
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Echinococcus granulosus	cyclin dependent kinase 1	0.0225	0.1555	0.1476
Loa Loa (eye worm)	trypsin family protein	0.0075	0.0401	0.0401
Mycobacterium ulcerans	glutaminase	0.0276	0.195	0.3605
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0242	0.0242
Echinococcus granulosus	cyclins	0.0052	0.0219	0.0127
Giardia lamblia	Kinase, CMGC CDK	0.0225	0.1555	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	0.2668
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0274
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Onchocerca volvulus		0.0075	0.0401	0.5172
Mycobacterium leprae	Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0725	0.5408	1
Brugia malayi	Protein kinase domain containing protein	0.0225	0.1555	0.3313
Trichomonas vaginalis	glutaminase, putative	0.0276	0.195	1
Brugia malayi	CHE-14 protein	0.0042	0.014	0.0299
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Schistosoma mansoni	hypothetical protein	0.0075	0.0401	0.0311
Trichomonas vaginalis	cyclin D, putative	0.0052	0.0219	0.0433
Brugia malayi	Trypsin-like protease protein 5	0.0075	0.0401	0.0855
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0225	0.1555	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Entamoeba histolytica	cyclin family protein	0.0052	0.0219	0.0646
Echinococcus granulosus	cyclins	0.0052	0.0219	0.0127
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0124	0.0776	0.1654
Onchocerca volvulus		0.0075	0.0401	0.5172
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0225	0.1555	0.2831
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Loa Loa (eye worm)	hypothetical protein	0.008	0.044	0.044
Brugia malayi	Trypsin family protein	0.0075	0.0401	0.0855
Echinococcus granulosus	dual specificity	0.0463	0.3389	0.3327
Echinococcus granulosus	cyclin dependent kinase 5	0.0225	0.1555	0.1476
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0798	0.5964	0.5926
Giardia lamblia	Kinase, CMGC CDK	0.0225	0.1555	1
Trichomonas vaginalis	cyclins, putative	0.0124	0.0776	0.3514
Loa Loa (eye worm)	hypothetical protein	0.0459	0.3352	0.3352
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.0226	0.0418
Schistosoma mansoni	patched 1	0.0042	0.014	0.0048
Loa Loa (eye worm)	glutaminase	0.0276	0.195	0.195
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0242	0.0515
Giardia lamblia	G2/mitotic-specific cyclin B	0.0124	0.0776	0.4171
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.044	0.0755
Echinococcus granulosus	cyclin B3 1	0.0052	0.0219	0.0127
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	0.5
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0225	0.1555	0.4589
Brugia malayi	hypothetical protein	0.0633	0.4694	1
Brugia malayi	Trypsin family protein	0.0075	0.0401	0.0855
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0242	0.0242
Entamoeba histolytica	protein kinase domain containing protein	0.0463	0.3389	1
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Echinococcus granulosus	cyclin dependent kinase	0.0225	0.1555	0.1476
Trypanosoma cruzi	cdc2-related kinase 3	0.0225	0.1555	0.2981
Schistosoma mansoni	cyclins	0.0052	0.0219	0.0127
Echinococcus granulosus	Niemann Pick C1 protein	0.0138	0.0886	0.0801
Echinococcus granulosus	expressed conserved protein	0.0091	0.0521	0.0432
Trichomonas vaginalis	cyclins, putative	0.0052	0.0219	0.0433
Trypanosoma cruzi	cdc2-related kinase 3	0.0225	0.1555	0.2981
Trichomonas vaginalis	cyclin D, putative	0.0052	0.0219	0.0433
Echinococcus granulosus	enteropeptidase	0.0075	0.0401	0.0311
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0075	0.0401	0.0855
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0052	0.0219	0.0127
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0225	0.1555	0.1476
Trypanosoma cruzi	cdc2-related kinase 1	0.0225	0.1555	0.2981
Onchocerca volvulus		0.0075	0.0401	0.5172
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0075	0.0401	0.0311
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0274
Echinococcus granulosus	cyclins	0.0052	0.0219	0.0127
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0463	0.3389	1
Loa Loa (eye worm)	hypothetical protein	0.1322	1	1
Loa Loa (eye worm)	hypothetical protein	0.0459	0.3352	0.3352
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Echinococcus multilocularis	dual specificity	0.0463	0.3389	0.3327
Loa Loa (eye worm)	hypothetical protein	0.0633	0.4694	0.4694
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.008	0.044	0.0813
Mycobacterium ulcerans	hypothetical protein	0.0075	0.0401	0.0742
Echinococcus multilocularis	Mastin	0.0075	0.0401	0.0311
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Schistosoma mansoni	serine/threonine protein kinase	0.0225	0.1555	0.1476
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0463	0.3389	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0225	0.1555	0.1555
Trichomonas vaginalis	CMGC family protein kinase	0.0225	0.1555	0.7818
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.0578	0.0489
Entamoeba histolytica	cyclin, putative	0.0052	0.0219	0.0646
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.044	0.0755
Echinococcus multilocularis	cyclin B	0.0124	0.0776	0.069
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0124	0.0776	0.229
Brugia malayi	Protein kinase domain containing protein	0.0463	0.3389	0.722
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0566	0.1206
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0401	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Leishmania major	cyclin	0.0124	0.0776	0.229
Entamoeba histolytica	protein kinase, putative	0.0463	0.3389	1
Entamoeba histolytica	cyclin family protein	0.0052	0.0219	0.0646
Brugia malayi	Trypsin family protein	0.0075	0.0401	0.0855
Schistosoma mansoni	hypothetical protein	0.004	0.0129	0.0036
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0028	0.0034	0.0062
Entamoeba histolytica	protein kinase, putative	0.0463	0.3389	1
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Toxoplasma gondii	pantoate-beta-alanine ligase	0.0725	0.5408	1
Echinococcus granulosus	transmembrane protease serine 3	0.0075	0.0401	0.0311
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0124	0.0776	0.1654
Echinococcus multilocularis	Niemann Pick C1 protein	0.0138	0.0886	0.0801
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Echinococcus multilocularis	cyclin dependent kinase 5	0.0225	0.1555	0.1476
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0463	0.3389	1
Schistosoma mansoni	hypothetical protein	0.0075	0.0401	0.0311
Echinococcus multilocularis	cyclins	0.0052	0.0219	0.0127
Echinococcus granulosus	Mastin	0.0075	0.0401	0.0311
Onchocerca volvulus		0.0075	0.0401	0.5172
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.1322	1	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.0226	0.0135
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.014	0.0048
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.0725	0.5408	1
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0225	0.1555	0.4589
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.1518	0.1518
Trichomonas vaginalis	cyclins, putative	0.0124	0.0776	0.3514
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0401	0.0311
Schistosoma mansoni	serine/threonine protein kinase	0.0225	0.1555	0.1476
Echinococcus multilocularis	glycoprotein Antigen 5	0.0075	0.0401	0.0311
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.0226	0.0135
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0075	0.0401	0.0311
Echinococcus granulosus	cyclins	0.0052	0.0219	0.0127
Echinococcus granulosus	cyclin b3	0.0052	0.0219	0.0127
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.0226	0.0418
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0463	0.3389	0.3389
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.044	0.0813
Echinococcus multilocularis	protein patched	0.0042	0.014	0.0048
Trichomonas vaginalis	CMGC family protein kinase	0.0225	0.1555	0.7818
Brugia malayi	Trypsin family protein	0.0075	0.0401	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0401	0.0401
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0109	0.0231
Trichomonas vaginalis	cyclins, putative	0.0085	0.0474	0.1843
Plasmodium vivax	protein kinase Crk2	0.0225	0.1555	1
Trypanosoma brucei	cdc2-related kinase 3	0.0225	0.1555	0.2981

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.3 uM	Inhibition of Mycobacterium tuberculosis Pantothenate synthetase	ChEMBL.	21235241

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: CHEMBL2181060

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1718049